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  1. Y.−F. Yang and L. S. Cederbaum
    Front. Chem. 10 (2022), 813563
    On the Endocircular Li@C16 System

  2. Y.−F. Yang and L. S. Cederbaum
    Chem. Phys. Lett. 799 (2022), 139554
    Storing and releasing Mg by C12 carbon ring

  3. L. S. Cederbaum
    J. Chem. Phys. 156 (2022), 184102
    Cooperative molecular structure in polaritonic and dark states

  4. R. Cabrera−Trujillo, O. Vendrell and L. S. Cederbaum
    Phys. Rev. A 105 (2022), 053104
    Dipole−induced processes in HeH+ produced by an excited Li(2p) neighbor: From charge transfer to virtual photon dissociation, and formation of LiH and LiHe

  5. I. Baldea
    Molecules 27 (2022), 5036
    Why Ortho− and Para−Hydroxy Metabolites Can Scavenge Free Radicals That the Parent Atorvastatin Cannot? Important Pharmacologic Insight from Quantum Chemistry

  6. I. Baldea
    Molecules 27 (2022), 3100
    HCnH Anion Chains with n 8 are Nonlinear and Their Permanent Dipole Makes Them Potential Candidates for Astronomical Observation

  7. O. E. Alon and L. S. Cederbaum
    J. Phys.: Conf. Ser. 2249 (2022), 012011
    Effects beyond center−of−mass separability in a trapped bosonic mixture: Exact results

  8. A. U. J. Lode, O. E. Alon, M. A. Bastarrachea−Magnani, A. Bhowmik, A. Buchleitner, L. S. Cederbaum, R. Chitra, E. Fasshauer, L. de Forges de Parny, S. K. Haldar, C. Lévêque, R. Lin, L. B. Madsen, P. Molignini, L. Papariello, F. Schäfer, A. I. Streltsov, M. C. Tsatsos and S. E. Weiner
    in: High Performance Computing in Science and Engineering '20, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2021)
    MCTDH−X: The Multiconfigurational Time−Dependent Hartree Method for Indistinguishable Particles High−Performance Computation Project

  9. Y.−F. Yang and L. S. Cederbaum
    Angew. Chem. Int. Ed. 60 (2021), 16649
    Endocircular Li Carbon Rings

  10. Y.−F. Yang and L. S. Cederbaum
    Phys. Chem. Chem. Phys. 23 (2021), 11837
    Caged−electron states and split−electron states in the endohedral alkali C60

  11. Z. Xie, I. Baldea, Q. Nguyen and C. D. Frisbie
    Nanoscale 13 (2021), 16755
    Quantitative Analysis of Weak Current Rectification in Molecular Tunnel Junctions Subject to Mechanical Deformation Reveals Two Different Rectification Mechanisms for Oligophenylene Thiols versus Alkane Thiols

  12. H. Wang and H.−D. Meyer
    J. Phys. Chem. A 125 (2021), 3077
    Importance of Appropriately Regularizing the ML−MCTDH Equations of Motion

  13. N. Ng, S. Wenderoth, R. Reddy Seelam, E. Rabani, H.−D. Meyer, M. Thoss and M. Kolodrubetz
    Phys. Rev. B 103 (2021), 134201
    Localization dynamics in a centrally coupled system

  14. A. Molle, A. Dubois, J. Gorfinkiel, L. S. Cederbaum and N. Sisourat
    Phys. Rev. A 104 (2021), 022828
    Electron attachment to a proton in water by interatomic Coulombic electron capture: An R−matrix study

  15. A. Molle, A. Dubois, J. D. Gorfinkiel, L. S. Cederbaum and N. Sisourat
    Phys. Rev. A 103 (2021), 012808
    Fano interferences in environment−enabled electron capture

  16. Q. Meng, M. Schröder and H.−D. Meyer
    J. Chem. Theory Comput. 17 (2021), 2702
    High−Dimensional Quantum Dynamics Study on Excitation−Specific Surface Scattering Including Lattice Effects of a Five−Atom Surface Cell

  17. S. Mainali, F. Gatti, D. Iouchtchenko, P.−N. Roy and H.−D. Meyer
    J. Chem. Phys. 154 (2021), 174106
    Comparison of the multi−layer multi−configuration time−dependent Hartree (ML−MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains

  18. A.U. Lode, O.E. Alon, L.S. Cederbaum, B. Chakrabarti, B. Chatterjee, R. Chitra, A. Gammal, S.K. Haldar, M.L. Lekala, C. Lévêque, R. Lin, P. Molignini, L. Papariello, and M.C. Tsatsos
    in: High Performance Computing in Science and Engineering '19, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2021)
    Crystallization, Fermionization, and Cavity−Induced Phase Transitions of Bose−Einstein Condensates

  19. A. Hans, P. Schmidt, C. Küstner−Wetekam, F. Trinter, S. Deinert, D. Bloß, J. H. Viehmann, R. Schaf, M. Gerstel, C. M. Saak, J. Buck, S. Klumpp, G. Hartmann, L. S. Cederbaum, N. V. Kryzhevoi and A. Knie
    J. Phys. Chem. Lett. 12 (2021), 7146
    Suppression of X‑ray−Induced Radiation Damage to Biomolecules in Aqueous Environments by Immediate Intermolecular Decay of Inner−Shell Vacancies

  20. K. Gokhberg, A. I. Kuleff and L.S. Cederbaum
    in: Molecular Spectroscopy and Quantum Dynamics, ed. R. Marquardt and M. Quack, Elsevier, (2021)
    Electronic decay cascades in chemical environment

  21. A. Ghosh, L. S. Cederbaum and K. Gokhberg
    Chem. Sci. 12 (2021), 9379
    Signature of the neighbor's quantum nuclear dynamics in the electron transfer mediated decay spectra

  22. J. Fedyk, K. Gokhberg and L. S. Cederbaum
    Phys. Rev. A 103 (2021), 022816
    Theory of double ionization of a neighboring molecule by interatomic Coulombic decay

  23. C. Fábri, G. J. Halász, L. S. Cederbaum and A. Vibók
    Chem. Sci., 12 (2021), 1251
    Born−Oppenheimer approximation in optical cavities: from success to breakdown

  24. C. Fábri, G. J. Halász, L. S. Cederbaum and A. Vibók
    J. Chem. Phys. 154 (2021), 124308
    Signatures of light−induced nonadiabaticity in the field−dressed vibronic spectrum of formaldehyde

  25. L. S. Cederbaum
    J. Chem. Phys. Lett. 12 (2021), 6056
    Polaritonic States of Matter in a Rotating Cavity

  26. L. S. Cederbaum and A. I. Kuleff
    Nat. Commun. 12 (2021), 4083
    Impact of cavity on interatomic Coulombic decay

  27. R. Cabrera−Trujillo
    Phys. Rev. A 103 (2021), 032812
    Analytical expression for the electronic stopping cross section of atomic gas targets for hydrogen projectiles

  28. I. Baldea
    Adv. Theory Simul. 4 (2021), 2000225
    What Can We Learn from the Time Evolution of COVID−19 Epidemic in Slovenia?

  29. I. Baldea
    Phys. Rev. B, 103 (2021), 195408
    Why asymmetric molecular coupling to electrodes cannot be at work in real molecular rectifiers

  30. I. Baldea
    Appl. Surf. Sci. Adv. 5 (2021), 100094
    Self−assembled monolayers of oligophenylenes stiffer than steel and silicon, possibly even stiffer than Si3N4

  31. Y.−F. Yang and L. S. Cederbaum
    J. Chem. Phys. 152 (2020), 244307
    Bound states and symmetry breaking of the ring C20 anion

  32. A. B. Trofimov, A. D. Skitnevskaya, E. K. Grigoricheva, E. V. Gromov and H. Köppel
    J. Chem. Phys. 153 (2020), 164307
    Vibronic coupling in the ground and excited states of the pyridine radical cation

  33. M. Schröder
    J. Chem. Phys. 152 (2020), 024108
    Transforming high−dimensional potential energy surfaces into a canonical polyadic decomposition using Monte Carlo methods

  34. D. Mendive−Tapia and H.−D. Meyer
    J. Chem. Phys. 153 (2020), 234114
    Regularizing the MCTDH equations of motion through an optimal choice on−the−fly (i.e. spawning) of unoccupied single−particle functions

  35. A. Landau, A. Ben−Asher, K. Gokhberg, L. S. Cederbaum and N. Moiseyev
    J. Chem. Phys. 152 (2020), 184303
    Ab initio complex potential energy curves of the He* (1s2p 1P)−Li dimer

  36. D. Koulentianos, A. E. A. Fouda, S. H. Southworth, J. D. Bozek, J. Küpper, R. Santra, N. V. Kryzhevoi, L. S. Cederbaum, C. Bostedt, M. Messerschmidt, N. Berrah, L. Fang, B. Murphy, T. Osipov, J. P. Cryan, J. Glownia, S. Ghimire, P. J. Ho, B. Krässig, D. Ray, Y. Li, E. P. Kanter, L. Young and G. Doumy
    J. Phys. B 53 (2020), 244005
    High intensity x−ray interaction with a model bio−molecule system: double−core−hole states and fragmentation of formamide

  37. T. Jahnke, U. Hergenhahn, B. Winter, R. Dörner, U. Frühling, P. V. Demekhin, K. Gokhberg, L. S. Cederbaum, A. Ehresmann, A. Knie and A. Dreuw
    Chem. Rev. 120 (2020), 11295
    Interatomic and Intermolecular Coulombic Decay

  38. G. Jabbari, K. Gokhberg and L. S. Cederbaum
    Chem. Phys. Lett. 754 (2020), 137571
    Competition between interatomic Coulombic decay and autoionization of doubly−excited atoms

  39. A. Hans, C. Küstner−Wetekam, P. Schmidt, C. Ozga, X. Holzapfel, H. Otto, C. Zindel, C. Richter, L. S. Cederbaum, A. Ehresmann, U. Hergenhahn, N. V. Kryzhevoi and A. Knie
    Phys. Rev. Research 2 (2020), 012022
    Core−level interatomic Coulombic decay in van der Waals clusters

  40. S. Goswami, Aiswarya M. P. and H. Köppel
    Mol. Phys. 118 (2020), e1762011
    A quantum dynamical investigation of the excitation transfer in two doubly hydrogen−bonded molecular dimers

  41. C. Fábri, B. Lasorne, G. J. Hálasz, L. S. Cederbaum and A. Vibók
    J. Chem. Phys. 153 (2020), 234302
    Quantum light−induced nonadiabatic phenomena in the absorption spectrum of formaldehyde: Full− and reduceddimensionality studies

  42. C. Fábri, B. Lasorne, G. Haláz, L. S. Cederbaum and A. Vibók
    J. Phys. Chem. Lett. 11 (2020), 5324
    Striking Generic Impact of Light−Induced Non−Adiabaticity in Polyatomic Molecules

  43. L. S. Cederbaum
    J. Phys. Chem. Lett. 11 (2020), 8964
    Fragmentation of Molecules by Virtual Photons from Remote Neighbors

  44. R. Cabrera−Trujillo, O. Vendrell and L. S. Cederbaum
    Phys. Rev. A 102 (2020), 032820
    Interatomic Coulombic decay of a Li dimer in a coupled electron and nuclear dynamics approach

  45. D. Bossion, S. Ndengue, H.−D. Meyer, F. Gatti and Y. Scrbano
    J. Chem. Phys. 153 (2020), 081102
    Theoretical investigation of the H + H chemical reaction for astrophysical applications: A state−to−state quasi−classical study

  46. A. Ben−Asher, A. Landau, L. S. Cederbaum and N. Moiseyev
    J. Phys. Chem. Lett. 11 (2020), 6600
    Quantum Effects Dominating the Interatomic Coulombic Decay of an Extreme System

  47. I. Baldea
    ACS Earth Space Chem. 4 (2020), 434
    Extensive Quantum Chemistry Study of Neutral and Charged C4N Chains

  48. I. Baldea
    Mon. Not. R. Astron. Soc. 498 (2020), 4316
    Profiling Astrophysically Relevant MgC4H Chain. An Attempt to Aid Astronomical Observations

  49. I. Baldea
    Mon. Not. R. Astron. Soc. 493 (2020), 2506
    Profiling C4N Radicals of Astrophysical Interest

  50. I. Baldea
    Adv. Theory Simul. 3 (2020), 2000132
    Suppression of Groups Intermingling as Appealing Option For Flattening and Delaying the Epidemiologic Curve While Allowing Economic and Social Life at Bearable Level During COVID−19 Pandemic

  51. I. Baldea
    Langmuir 36 (2020), 1329
    Evidence That Molecules in Molecular Junctions May Not Be Subject to the Entire External Perturbation Applied to Electrodes

  52. O.E. Alon, V.S. Bagnato, R. Beinke, S .Basu, L.S. Cederbaum, B. Chakrabarti, B Chatterjee, R. Chitra, F.S. Diorico, S. Dutta, L. Exl, A. Gammal, S.K. Haldar, S. Klaiman, C. Lévêque, R. Lin, N.J. Mauser, P. Molignini, L. Papariello, R. Roy, K. Sakmann, A.I. Streltsov, G.D. Telles, M.C. Tsatsos, R. Wu and A.U.J. Lode
    in: High Performance Computing in Science and Engineering '18, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2019)
    Exploring many−body physics with Bose−Einstein condensates

  53. D. You, Y. Li, T. Ono, T. Gaumnitz, M. Schöffler, S. Grundmann, S.−I. Wada, P Carpeggiani, W. Q. Xu, X. J. Liu, S. Owada, K. Tono, T. Togashi, M Yabashi, N. V. Kryzhevoi, K. Gokhberg, A. I. Kuleff, L. S. Cederbaum, K. Ueda and K. Nagaya
    J. Chem. Phys., 151 (2019), 184305
    Electron spectroscopic study of nanoplasma formation triggered by intense soft x−ray pulses

  54. Y.−F. Yang, E. V. Gromov and L. S. Cederbaum
    J. Phys. Chem. Lett., 10 (2019), 7617
    Caged−electron states in endohedral Li fullerenes

  55. Y.−F. Yang, E. V. Gromov and L. S. Cederbaum
    J. Chem. Phys., 151 (2019), 114306
    Charge separated states of endohedral fullerene Li@C20

  56. Z. Xie, I. Baldea, G. Haugstad and C. D. Frisbie
    J. Am. Chem. Soc. 141 (2019), 497
    Mechanical Deformation Distinguishes Tunneling Pathways in Molecular Junctions

  57. Z. Xie, I. Baldea and C. D. Frisbie
    J. Am. Chem. Soc. 141 (2019), 3670
    Determination of Energy Level Alignment in Molecular Tunnel Junctions by Transport and Spectroscopy: Self−Consistency for the Case of Oligophenylene Thiols and Dithiols on Ag, Au, and Pt Electrodes

  58. Z. Xie, I. Baldea and C. D. Frisbie
    J. Am. Chem. Soc. 141 (2019), 18182
    Energy Level Alignment in Molecular Tunnel Junctions by Transport and Spectroscopy: Self−Consistency for the Case of Alkyl Thiols and Dithiols on Ag, Au, and Pt Electrodes

  59. G. Schmid, K. Schnorr, S. Augustin, S. Meister, H. Lindenblatt, F. Trost, Y. Liu, T. Miteva, M. Gisselbrecht, S. Düsterer, H. Redlin, R. Treusch, K. Gokhberg, A. I. Kuleff, L. S. Cederbaum, C. D. Schröter, T. Pfeifer and R. Moshammer
    J. Chem. Phys., 151 (2019), 084314
    Tracing charge transfer in argon dimers by XUV−pump IR−probe experiments at FLASH

  60. S. Scheit, S. Goswami, H.−D. Meyer and H. Köppel
    Comp. Theor. Chem. 1150 (2019), 71
    Fully quantal treatment of nonadiabatic molecular photodynamics: General considerations and application to the benzene cation

  61. B. Nikoobakht, A. Dreuw and H. Köppel
    J. Chem. Phys. 151 (2019), 104105
    Excited state dynamics of the s−trans−1,3−butadiene cation: An ab initio quantum dynamical analysis

  62. F. Köhler, K. Keiler, S. I. Mistakidis, H.−D. Meyer and P. Schmelcher
    J. Chem. Phys. 151 (2019), 054108
    Dynamical pruning of the non−equilibrium quantum dynamics of trapped ultracold bosons

  63. S. Goswami, S. Kopec and H. Köppel
    J. Phys. Chem. A 123 (2019), 5491
    Vibronic Coupling and Excitation Transfer in Hydrogen−Bonded Molecular Dimers: A Quantum Dynamical Analysis

  64. A. Ghosh, L. S. Cederbaum and K. Gokhberg
    J. Chem. Phys., 150 (2019), 164309
    Electron transfer mediated decay in HeLi2 cluster: Potential energy surfaces and decay widths

  65. H. Fukuzawa, T. Takanashi, E. Kukk, K. Motomura, S.−i. Wada, K. Nagaya, Y. Ito, T. Nishiyama, C. Nicolas, Y. Kumagai, D. Iablonskyi, S. Mondal, T. Tachibana, D. You, S. Yamada, Y. Sakakibara, K. Asa, Y. Sato, T. Sakai, K. Matsunami, T. Umemoto, K. Kariyazono, S. Kajimoto, H. Sotome, P. Johnsson, M. S. Schöffler, G. Kastirke, K. Kooser, X.−J. Liu, T. Asavei, L. Neagu, S. Molodtsov, K. Ochiai, M. Kanno, K. Yamazaki, S. Owada, K. Ogawa, T. Katayama, T. Togashi, K. Tono, M. Yabashi, A. Ghosh, K. Gokhberg, L. S. Cederbaum, A. I. Kuleff, H. Fukumura, N. Kishimoto, A. Rudenko, C. Miron, H. Kono and K. Ueda
    Nature Communications 10 (2019), 2186
    Real−time observation of X−ray−induced intramolecular and interatomic electronic decay in CH2I2

  66. L. S. Cederbaum
    Mol. Phys., 117 (2019), 1950
    Efficient non−resonant intermolecular vibrational energy transfer

  67. I. Baldea
    ACS Earth Space Chem. 9 (2019), 863
    Long Carbon−Based Chains of Interstellar Medium Can Have a Triplet Ground State. Why Is This Important for Astrochemistry?

  68. I. Baldea
    Appl. Surf. Sci. 487 (2019), 593
    Impact of molecular conformation on transport and transport−related properties at the nanoscale

  69. I. Baldea
    Appl. Surf. Sci. 474 (2019), 256
    Specific issues related to the law of corresponding states for the charge transport in molecular junctions based on graphene electrodes

  70. I. Baldea
    Adv. Theor. Simul. 2 (2019), 1900084
    Alternation of Singlet and Triplet States in Carbon−Based Chain Molecules and Its Astrochemical Implications: Results of an Extensive Theoretical Study

  71. I. Baldea
    Appl. Surf. Sci. 472 (2019), 16
    A Novel Route to Get Functionality in Nanoelectronics: Controlling the Charge Transport by the Subtle Impact of the Coverage of Self−Assembled Monolayers on the Conformation of Floppy Molecules Adsorbed on Metallic Electrodes

  72. M. Schröder and H.−D. Meyer
    in: High Performance Computing in Science and Engineering '17, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2018)
    Calculation of global, high−dimensional Potential Energy Surface fits in sum−of−products form using Monte−Carlo Methods

  73. A. Csehi, G.J. Halasz, L.S. Cederbaum and A. Vibok
    in: Attosecond Molecular Dynamics, ed. M.J.J. Vrakking and F. Lepine, The Royal Society of Chemistry, (2018)
    Light−induced conical intersections

  74. O.E. Alon, R. Beinke, C. Bruder, L.S. Cederbaum, S. Klaiman, A.U.J. Lode, K. Sakmann, M. Theisen, M.C. Tsatsos, S.E. Weiner and A.I. Streltsov
    in: High Performance Computing in Science and Engineering '17, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2018)
    Many−body effects in fragmented, depleted, and condensed bosonic systems in traps and optical cavities by MCTDHB and MCTDH−X

  75. Y.−F. Yang, S. Klaiman, E. V. Gromov and L. S. Cederbaum
    Phys. Chem. Chem. Phys. 20 (2018), 17434
    Bound electronic states of the smallest fullerene C20− anion

  76. S. Xu, D. Guo, X. Ma, X. Zhu, W. Feng, S. Yan, D. Zhao, Y. Gao, S. Zhang, X. Ren, Y. Zhao, Z. Xu, A. Dorn, L. S. Cederbaum and N. V. Kryzhevoi
    Angew. Chem. 57 (2018), 17023
    Damaging intermolecular energy and proton transfer processes in alpha−particle−irradiated hydrogen−bonded systems

  77. Z. Xie, I. Baldea and C. D. Frisbie
    Chem. Sci. 9 (2018), 4456
    Why one can expect large rectification in molecular junctions based on alkane monothiols and why rectification is so modest

  78. H. Wang and H.−D. Meyer
    J. Chem. Phys. 149 (2018), 044119
    On regularizing the ML−MCTDH equations of motion

  79. A. B. Trofimov, I. Powis, R. C. Menzies, D. M. P. Holland, E. Antonsson, M. Patanen, C. Nicolas, C. Miron, A. D. Skitnevskaya, E. V. Gromov and H. Köppel
    J. Chem. Phys. 149 (2018), 074306
    An experimental and theoretical study of the photoelectron spectra of cis−dichloroethene: Valence shell vertical ionization and vibronic coupling in the low−lying cationic states

  80. T. Szidarovszky, G. J. Halász, A. G. Császár, L. S. Cederbaum and A. Vibók
    J. Phys. Chem. Lett., 9 (2018), 6215
    Conical intersections induced by quantum light: field−dressed spectra from the weak to the ultrastrong coupling regimes

  81. T. Szidarovszky, G. J. Halász, A. G. Császár, L. S. Cederbaum and A. Vibók
    J. Phys. Chem. Lett. 9 (2018), 2739
    Direct signatures of light−induced conical intersections on the field−dressed spectrum of Na2

  82. C. E. Smith, Z. Xie, I. Baldea and C. D. Frisbie
    Nanoscale 10 (2018), 964
    Work Function and Temperature Dependence of Electron Tunneling through an N−Type Perylene Diimide Molecular Junction with Isocyanide Surface Linkers

  83. N. Sisourat, T. Miteva, J. D. Gorfinkiel, K. Gokhberg and L. S. Cederbaum
    Phys. Rev. A 98 (2018), 020701
    Interatomic Coulombic electron capture from first principles

  84. M. Pernpointner, L. Visscher and A. B. Trofimov
    J. Chem. Theory Comput. 14 (2018), 1510
    Four−component Polarization Propagator Calculations of Electron Excitations: Spectroscopic Implications of Spin−Orbit Coupling Effects

  85. R. Obaid, C. Buth, G. L. Dakovski, R. Beerwerth, M. Holmes, J. Aldrich, M.−F. Lin, M. Minitti, T. Osipov, W. Schlotter, L. S. Cederbaum, S. Fritzsche and N. Berrah
    J. Phys. B 51 (2018), 034003
    LCLS in−photon out: fluorescence measurement of neon using soft x−rays

  86. B. Nikoobakht, A. Dreuw, H and Köppel
    Chem. Phys. 515 (2018), 654
    An ab initio quantum dynamical analysis of the vibronic structure of the X2Bg photoelectron spectral band of s−trans−1, 3−butadiene

  87. A. D. Müller, E. Kutscher, A. N. Artemyev, L. S. Cederbaum and P. V. Demekhin
    Chem. Phys. 509 (2018), 145
    Dynamic interference in the resonance−enhanced multiphoton ionization of hydrogen atoms by short and intense laser pulses

  88. T. Miteva, N. V. Kryzhevoi, N. Sisourat, C. Nicolas, W. Pokapanich, T. Saisopa, P. Songsiriritthigul, Y. Rattanachai, A. Dreuw, J. Wenzel, J. Palaudoux, G. Öhrwall, R. Püttner, L. S. Cederbaum, J.−P. Rueff and D. Céolin
    J. Phys. Chem. Lett. 9 (2018), 4457
    The all−seeing eye of resonant Auger electron spectroscopy: A study on aqueous solution using tender X−rays

  89. H.−D. Meyer and H. Wang
    J. Chem. Phys 148 (2018), 124105
    On regularizing the MCTDH equations of motion

  90. D. Mendive−Tapia, E. Mangaud, T. Firmino, A. de la Lande, M. Desouter−Lecomte, H−D Meyer and F. Gatti
    J. Phys. Chem. B 122 (2018), 126
    Multidimensional Quantum Mechanical Modeling of Electron Transfer and Electronic Coherence in Plant Cryptochromes: The Role of Initial Bath Conditions

  91. Y. Kumagai, H. Fukuzawa, K. Motomura, D. Iablonskyi, K Nagaya, S. Wada, Y. Ito, T. Takanashi, Y. Sakakibara, D. You, T. Nishiyama, K. Asa, Y. Sato, T. Umemoto, K. Kariyazono, E. Kukk, K. Kooser, C. Nicolas, C. Miron, T. Asavei, L. Neagu, M. S. Schöffler, G. Kastirke, X. Liu, S. Owada, T. Katayama, T. Togashi, K. Tono, M. Yabashi, N. V. Golubev, K. Gokhberg, L. S. Cederbaum, A. I. Kuleff and K. Ueda
    Phys. Rev. X 8 (2018), 031034
    Following the birth of a nanoplasma produced by an ultrashort hard−X−ray laser in Xenon clusters

  92. S. Klaiman, R. Beinke, L. S. Cederbaum, A. I. Streltsov and O. E. Alon
    Chem. Phys. 509 (2018), 45
    Variance of an anisotropic Bose−Einstein condensate

  93. V. Hizhnyakov, K. Pae, V. Boltrushko and H. Köppel
    J. Phys.: Conf. Ser. 1148 (2018), 012002
    Vibronic states in conical intersections: manifestations of centrifugal energy and non−adiabaticity in optical spectra of Jahn−Teller systems

  94. D. Davis, K. G. Bhushan, Y. Sajeev and L. S. Cederbaum
    J. Phys. Chem. Lett. 9 (2018), 6973
    A concerted synchronous [2 + 2] cycloreversion repair catalyzed by two electrons

  95. A. Chattopadhyay, P. Saini. R. Hakim, A. Komainda and H. Köppel
    Chem. Phys. 509 (2018), 98
    A computational investigation on the photo−isomerization of 2,4,6−octatriene and its UV–visible spectrum

  96. L. S. Cederbaum
    Phys. Rev. Lett., 121 (2018), 223001
    Ultrafast intermolecular energy transfer from vibrations to electronic motion

  97. C. Buth, R. Beerwerth, R. Obaid, N. Berrah, L. S. Cederbaum and S. Fritzsche
    J. Phys. B 51 (2018), 055602
    Neon in ultrashort and intense x−rays from free electron lasers

  98. M. Berman and L. S. Cederbaum
    Physica A 505 (2018), 744
    Fractional driven−damped oscillator and its general closed form exact solution

  99. R. Beinke, L. S. Cederbaum and O. E. Alon
    Phys. Rev. A 98 (2018), 053634
    Enhanced many−body effects in the excitation spectrum of a weakly interacting rotating Bose−Einstein condensate

  100. I. Baldea
    Phys. Chem. Chem. Phys. 20 (2018), 23492
    A sui generis electrode−driven spatial confinement effect responsible for strong twisting enhancement of floppy molecules in closely packed self−assembled monolayers

  101. P. Badanko, G. J. Halász, A. G. Császár, L. S. Cederbaum, A. Vibók and A. Csehi
    J. Chem. Phys., 149 (2018), 181101
    Communication: Substantial impact of the orientation of transition dipole moments on the dynamics of diatomics in laser fields

  102. O.E. Alon and L.S. Cederbaum
    Chem. Phys. 515 (2018), 287
    Attractive Bose−Einstein condensates in anharmonic traps: Accurate numerical treatment and the intriguing physics of the variance

  103. F. Gatti, B. Lasorne, H.−D. Meyer and A. Nauts
    Applications of Quantum Dynamics in Chemistry,
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  104. O.I. Alon, R. Beinke, L.S. Cederbaum, M.J. Edmonds, E. Fasshauer, M.A. Kasevich, S. Klaiman, A.U.J. Lode, N.G. Parker, K. Sakmann, M.C. Tsatsos and A.I. Streltsov
    in: High Performance Computing in Science and Engineering '16, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2017)
    Vorticity, variance, and the vigor of many−body phenomena in ultracold quantum systems: MCTDHB and MCTDH−X

  105. D. You, H. Fukuzawa, Y. Sakakibara, T. Takanashi, Y. Ito, G. G. Maliyar, K. Motomura, K. Nagaya, T. Nishiyama, K. Asa, Y. Sato, N. Saito, M. Oura, M. Schöffler, G. Kastirke, U. Hergenhahn, V. Stumpf, K. Gokhberg, A. I. Kuleff, L. S. Cederbaum and K. Ueda
    Nature Communications, 8 (2017), 14277
    Charge transfer to ground−state ions produces free electrons

  106. Z. Xie, I. Baldea, A. T. Demissie, C. E. Smith, Y. Wu, G. Haugstad and C. D. Frisbie
    J. Am. Chem. Soc. 139 (2017), 5696
    Exceptionally Small Statistical Variations in the Transport Properties of Metal−Molecule−Metal Junctions Composed of 80 Oligophenylene Dithiol Molecules

  107. Z. Xie, I. Baldea, S. Oram, C. E. Smith and C. D. Frisbie
    ACS Nano 11 (2017), 569
    Effect of Heteroatom Substitution on Transport in Alkane Dithiol Based Molecular Tunnel Junctions: Evidence for Universal Behavior

  108. S. E. Weiner, M. C. Tsatsos, L. S. Cederbaum and A. U. J. Lode
    Scientific Report 7 (2017), 40122
    Phantom vortices: hidden angular momentum in ultracold dilute Bose−Einstein condensates

  109. I. Unger, R. Seidel, S. Thürmer, M. N. Pohl, E. F. Aziz, L. S. Cederbaum, E. Muchová, P. Slavíček, B. Winter and N. V. Kryzhevoi
    Nature Chemistry 9 (2017), 708
    Observation of electron−transfer−mediated decay in aqueous solution

  110. V. A. Tran and M. Pernpointner
    Chem. Phys. (in press) (2017),
    A quantum dynamical study of the photoelectron spectra and the Renner−Teller effect in BrCN and ClCN based on four−component potential energy hypersurfaces

  111. T. Takanashi, N. V. Golubev, H. Fukuzawa, K. Motomura, D. Iablonskyi, Y. Kumagai, S. Mondal, T. Tachibana, K. Nagaya, T. Nishiyama, K. Matsunami, P. Johnsson, P. Piseri, G. Sansone, A. Dubrouil, M. Reduzzi, P. Carpeggiani, C. Vozzi, M. Devetta, M. Negro, D. Faccialà, F. Calegari, A. Trabattoni, M. C. Castrovilli, Y. Ovcharenko, M. Mudrich, F. Stienkemeier, M. Coreno, M. Alagia, B. Schütte, N. Berrah, C. Callegari, O. Plekan, P. Finetti, C. Spezzani, E. Ferrari, E. Allaria, G. Penco, C. Serpico, G. De Ninno, B. Diviacco, S. Di Mitri, L. Giannessi, G. Jabbari, K. C. Prince, L. S. Cederbaum, Ph. V. Demekhin, A. I. Kuleff and K. Ueda
    Phys. Rev. Lett. 118 (2017), 033202
    Time−resolved observation of interatomic Coulombic decay induced by two−photon double excitation of Ne2

  112. M. Schröder and H.−D. Meyer
    J. Chem. Phys 147 (2017), 064105
    Transforming high−dimensional potential energy surfaces into sum−of−products form using Monte Carlo methods

  113. R. Sarkar, S. R. Reddy, S. Mahapatra and H. Köppel
    Chem. Phys. 482 (2017), 39
    On the Jahn–Teller effect in the X2E electronic ground state of CH3F+

  114. X. Ren, T. Miteva, P. Kolorenč, K. Gokhberg, A. I. Kuleff, L. S. Cederbaum and A. Dorn
    Phys. Rev. A 96 (2017), 032715
    Observation of fast and slow interatomic Coulombic decay in argon dimers induced by electron−impact ionization

  115. D. Pelaez and H.−D. Meyer
    Chem. Phys. 482 (2017), 100
    On the infrared absorption spectrum of the hydrated hydroxide (H3O2) cluster anion

  116. B. Nikoobakht, M. Siebert and M. Pernpointner
    Chem. Phys. 482 (2017), 339
    A four−component Fock−space coupled cluster investigation of the XMn(CO)5, (X = Cl, Br and I) photoelectron spectra

  117. S. Ndengue, R. Dawes, F. Gatti and H.−D. Meyer
    Chem. Phys. Lett. 668 (2017), 42
    Atom−Triatom Rigid Rotor Inelastic Scattering with the MultiConfiguration Time Dependent Hartree approach

  118. T. Mizuno, P. Cörlin, T. Miteva, K. Gokhberg, A. I. Kuleff, L. S. Cederbaum, T. Pfeifer, A. Fischer and R. Moshammer
    J. Chem. Phys. 146 (2017), 104305
    Time−resolved observation of interatomic excitation−energy transfer in argon dimers

  119. Q. Meng and H.−D. Meyer
    J. Chem. Phys. 146 (2017), 184305
    Lattice effects of surface cell: Multilayer multiconfiguration time−dependent Hartree study on surface scattering of CO/Cu(100)

  120. D. Mendive−Tapia, T. Firmino, H.−D. Meyer and F. Gatti
    Chem. Phys. 482 (2017), 113
    Towards a systematic convergence of Multi−Layer (ML) multi−configuration time−dependent Hartree nuclear wavefunctions: the ML−spawning algorithm

  121. I. Lyskov, H. Köppel and and C. M. Marian
    Phys. Chem. Chem. Phys. 19 (2017), 3937
    Nonadiabatic photodynamics and UV absorption spectrum of all−trans−octatetraene

  122. C. M. Krauter, B. Schimmelpfennig, M. Pernpointner and A. Dreuw
    Chem. Phys. 482 (2017), 286
    Algebraic diagrammatic construction for the polarization propagator with spin−orbit coupling

  123. A. Komainda, D. Lefrancois, A. Dreuw and and H. Köppel
    Chem. Phys. 482 (2017), 27
    Theoretical study of the initial non−radiative 1 Bu−2 Ag transition in the fluorescence quenching of s−trans−butadiene: Electronic structure methods and quantum dynamics

  124. M. C. E. Galbraith, S. Scheit, N. V. Golubev, G. Reitsma, N. Zhavoronkov, V. Despré, F. Lépine, A. I. Kuleff, M. J. J. Vrakking, O. Kornilov, H. Köppel and J. Mikosch
    Nature Communications 8 (2017), 1018
    Few−femtosecond passage of conical intersections in the benzene cation

  125. Ph. V. Demekhin, D. Hochstuhl and L. S. Cederbaum
    Phys. Rev. A 95 (2017), 049903(E)
    Erratum: "Photoionization of hydrogen atoms by coherent intense high−frequency short laser pulses: Direct propagation of electron wave packets on large spatial grids" [Phys. Rev. A 88, 023422 (2013)]

  126. A. Csehi, G. J. Halász, L. S. Cederbaum and A. Vibók
    Phys. Chem. Chem. Phys. 19 (2017), 19656
    Intrinsic and light−induced nonadiabatic phenomena in the Nal molecule

  127. A. Csehi, G. J. Halász, L. S. Cederbaum and A. Vibók
    J. Phys. Chem. Lett 8 (2017), 1624
    Competition between light−induced and intrinsic nonadiabatic phenomena in diatomics

  128. L. S. Cederbaum
    Phys. Rev. A 96 (2017), 013615
    Exact many−body wave function and properties of trapped bosons in the infinite−particle limit

  129. R. Beinke, S. Klaiman, L. S. Cederbaum, A. I. Streltsov and O. E. Alon
    Phys. Rev. A. 95 (2017), 063602
    Many−body effects in the excitation spectrum of weakly interacting Bose−Einstein condensates in one−dimensional optical lattices

  130. F. Balmer, S. Kopec, H. Köppel and and S. Leutwyler
    J. Phys. Chem. A 121 (2017), 73
    Excitonic Splitting and Vibronic Coupling Analysis of the m−Cyanophenol Dimer

  131. I. Baldea
    Faraday Discuss. 204 (2017), 35
    A Surprising Way to Control the Charge Transport in Molecular Electronics: the Subtle Impact of the Coverage of SAM of Floppy Molecules Adsorbed on Electrodes

  132. I. Baldea
    Chem. Phys. 482 (2017), 311
    Vibrational properties of fractionally charged molecules and their relevance for molecular electronics and electrochemistry

  133. I. Baldea
    Phys. Chem. Chem. Phys. 19 (2017), 30842
    Floppy Molecules as Candidates for Achieving Optoelectronic Molecular Devices without Skeletal Rearrangement or Bond Breaking

  134. I. Baldea
    J. Phys. Chem. A 121 (2017), 2282
    Vibrational Frequencies of Fractionally Charged Molecular Species: Benchmarking DFT Results against Ab Initio Calculations

  135. I. Baldea
    Org. Electron. 49 (2017), 19
    Important issues related to the law of corresponding states for the charge transport in molecular junctions with graphene electrodes

  136. I. Baldea
    Phys. Chem. Chem. Phys. 19 (2017), 11759
    Protocol for Disentangling the Thermally Activated Contribution to the Tunneling−Assisted Charge Transport. Analytical Results and Experimental Relevance

  137. I. Baldea
    Materials Today: Proceedings 4 (2017), 11519
    Scaling Properties and Related Issues in the Charge Transport through Molecular Junctions

  138. A. N. Artemyev, L. S. Cederbaum and Ph. V. Demekhin
    Phys. Rev. A 95 (2017), 033402
    Impact of two−electron dynamics and correlations on high−order−harmonic generation in He

  139. D. Amabilino, I. Baldea, J. Batteas, P. Beton, N. Bilbao, G. Costantini, J. Davidson, S. De Feyter, Y. Diaz Fernandez, K.−H. Ernst, B. Hirsch, A. Jabbarzadeh, R. Jones, A. Kuhnle, M. Lackinger, Z. Li, N. Lin, T. R. Linderoth, N. Martsinovich, M. Nalbach, C.−M. Pradier, T. Rahman, R. Raval, N. Robinson, F. Rosei, M. Sacchi, M. Samperi, A. Sanz Matias, A. Saywell, S. Schwaminger and S. L. Tait
    Faraday Discuss. 204 (2017), 503
    Probing properties of molecule−based interface systems: general discussion and Discussion of the Concluding Remarks

  140. D. Amabilino, I. Baldea, O. Barykina, J. Batteas, P. Besenius, P. Beton, N. Bilbao, M. Buck, L. Chi, S. Clarke, G. Costantini, J. Davidson, P. Davies, S. De Feyter, Y. Diaz Fernandez, D. Dwivedi, K.−H. Ernst, A. Flood, J. Gautrot, A. Jabbarzadeh, V. Korolkov, A. Kuhnle, M. Lackinger, C.−M. Pradier, T. Rahman, R. Raval, S. Schwaminger, J. Seibel, S. L. Tait, J. Teyssandier and H. Zuilhof
    Faraday Discuss. 204 (2017), 395
    Preparing macromolecular systems on surfaces: general discussion

  141. D. Amabilino, I. Baldea, P. Besenius, P. Beton, M. Blunt, M. Buck, N. R. Champness, L. Chi, S. Clarke, G. Costantini, S. De Feyter, Y. Diaz Fernandez, D. Dwivedi, K.−H. Ernst, A. Flood, B. Hirsch, R. Jones, A. Kuhnle, M. Lackinger, T. R. Linderoth, N. Martsinovich, A. Mount, M. Nalbach, C.−M. Pradier, T. Rahman, R. Raval, N. Robinson, M. Sacchi, S. Schwaminger, S. L. Tait, P. Woodruff and H. Zuilhof
    Faraday Discuss. 204 (2017), 271
    Supramolecular systems at liquid−solid interfaces: general discussion

  142. D. Amabilino, I. Baldea, J. Batteas, P. Besenius, P. Beton, M. Buck, L. Chi, G. Costantini, P. Davies, S. De Feyter, Y. Diaz Fernandez, D. Dwivedi, K.−H. Ernst, A. Flood, B. Hirsch, V. Humblot, R. Jones, A. Kuhnle, M. Lackinger, N. Lin, T. R. Linderoth, C.−M. Pradier, T. Rahman, R. Raval, N. Robinson, M. Sacchi, S. Schwaminger, S. L. Tait, P. Woodruff and H. Zuilhof
    Faraday Discuss. 204 (2017), 123
    Supramolecular effects in self−assembled monolayers: general discussion

  143. V. Stumpf, K. Gokhberg and L.S. Cederbaum
    Nature Chemistry 8 (2016), 237
    The role of metal ions in X−ray−induced photochemistry

  144. A. Csehi, G.J. Haláz, L.S. Cederbaum and A. Vibók
    Faraday Discussions 194 (2016), 479
    Towards controlling the dissociation probability by light−induced conical intersections

  145. L.S. Cederbaum
    J. Phys. Chem. 120 (2016), 3009
    Field operators in real space

  146. O.E. Alon, V.S. Bagnato, R. Beinke, I. Brouzos, T. Calarco. T. Caneva, L.S. Cederbaum, M.A. Kasevich, S. Klaiman, A.U.J. Lode, S. Montangero, A. Negretti, R.S. Said, K. Sakmann, O.I. Streltsova, M. Theisen, M.C. Tsatsos, S.E. Weiner, T. Wells and A.I. Streltsov
    in: High Performance Computing in Science and Engineering '15, ed. W. E. Nagel and D. H. Kröner and M. M. Resch, Springer International Publishing, (2016)
    MCTDHB Physics and Technologies: Excitations and vorticity, single−shot detection, measurement of fragmentation, and optimal control in correlated ultra−cold Bosonic Many−Body Systems

  147. D. Iablonskyi, K. Nagaya, H. Fukuzawa, K. Motomura, Y. Kumagai, S. Mondal, T. Tachibana, T. Takanashi, T. Nishiyama, K. Matsunami, P. Johnsson, P. Piseri, G. Sansone, A. Dubrouil, M. Reduzzi, P. Carpeggiani, C. Vozzi, M. Devetta, M. Negro, F. Calegari, A. Trabattoni, M.C. Castrovilli, D. Faccialà, Y. Ovcharenko, T. Möller, M. Mudrich, F. Stienkemeier, M. Coreno, M. Alagia, B. Schütte, N. Berrah, A.I. Kuleff, G. Jabbari, C. Callegari, O. Plekan, P. Finetti, C. Spezzani, E. Ferrari, E. Allaria, G. Penco, C. Serpico, G. De Ninno, I. Nikolov, B. Diviacco, S. Di Mitri, L. Giannessi, K.C. Prince and K. Ueda
    Phys. Rev. Lett. 117 (2016), 276806
    Slow Interatomic Coulombic Decay of Multiply Excited Neon Clusters

  148. M. Wieteck, M. H. Larsen (née Vilhelmsen), P. Nösel, J. Schulmeister, F. Rominger, M. Rudolph, M. Pernpointner and A. S. K. Hashmi
    Adv. Synth. and Catal. 358 (2016), 1449
    Conjugated Vinylgold(I)−Vinylideneruthenium(II) Complexes and Related Organoruthenium Compounds: Stable Analogues of Intermediates Proposed in Dual Gold Catalysis

  149. F. M. Pont, A. Bande and L. S. Cederbaum
    J. Phys.: Condens. Matter 28 (2016), 075301
    Electron−correlation driven capture and release in double quantum dots

  150. B. Nikoobakht and H. Köppel
    Chem. Phys. Lett. 651 (2016), 221
    Quantum dynamics study of singlet−triplet transitions in s−trans−1,3−butadiene

  151. K. Nagaya, D. Iablonskyi, N. V. Golubev, K. Matsunami, H. Fukuzawa, K. Motomura, T. Nishiyama, T. Sakai, T. Tachibana, S. Mondal, S. Wada, K. C. Prince, C. Callegari, C. Miron, N. Saito, M. Yabashi, Ph. V. Demekhin, L. S. Cederbaum, A. I. Kuleff, M. Yao and K. Ueda
    Nature Communications 7 (2016), 13477
    Interatomic Coulombic decay cascades in multiply excited neon clusters

  152. J.−C. Liu, N. Berrah, L. S. Cederbaum, J. P. Cryan, J. M. Glownia, K. J. Schafer and C. Buth
    J. Phys. B, 49 (2016), 075602
    Rate equations for nitrogen molecules in ultrashort and intense x−ray pulses

  153. A. C. LaForge, V. Stumpf, K. Gokhberg, J. von Vangerow, F. Stienkemeier, N. V. Kryzhevoi, P. O’Keeffe, A. Ciavardini, S. R. Krishnan, M. Coreno, K. C. Prince, R. Richter, R. Moshammer, T. Pfeifer, L. S. Cederbaum and M. Mudrich
    Phys. Rev. Lett. 116 (2016), 203001
    Enhanced ionization of embedded clusters by electron−transfer−mediated decay in Helium nanodroplets

  154. A. C. LaForge, D. Regina, G. Jabbari, K. Gokhberg, N. V. Kryzhevoi, S. R. Krishnan, M. Hess, P. O’Keeffe, A. Ciarvardini, K. C. Prince, R. Richter, F. Stienkemeier, L. S. Cederbaum, T. Pfeifer, R. Moshammer and M. Mudrich
    Phys. Rev. A 93 (2016), 050502
    Fano resonances observed in helium nanodroplets

  155. A. I. Kuleff, N. V. Kryzhevoi, M. Pernpointner and L. S. Cederbaum
    Phys. Rev. Lett. 117 (2016), 093002
    Core ionization initiates subfemtosecond charge migration in the valence shell of molecules

  156. S. Kopec and H. Köppel
    J. Chem. Phys. 144 (2016), 024314
    Theoretical analysis of the S2 <− S0 vibronic spectrum of the 2−pyridone dimer

  157. A. Komainda, I. Lyskov, C. M. Marian and and H. Köppel
    J. Phys. Chem. A 120 (2016), 6541
    Ab Initio Benchmark Study of Nonadiabatic S1−S2 Photodynamics of cis− and trans−Hexatriene

  158. S. Klaiman and L. S. Cederbaum
    Phys. Rev. A 94 (2016), 063648
    Overlap of exact and Gross−Pitaevskii wave functions in Bose−Einstein condensates of dilute gases

  159. G. Jabbari, K. Sadri, L. S. Cederbaum and K. Gokhberg
    J. Chem. Phys. 144 (2016), 164307
    Strong enhancement of cage effects in water photolysis caused by interatomic Coulombic decay

  160. E. V. Gromov, S. Klaiman and L. S. Cederbaum
    Phys. Chem. Chem. Phys. 18 (2016), 10840
    How many bound valence states does the C60 anion have?

  161. G. Füchsel, P. S. Thomas, J. den Uyl, Y. Öztürk, F. Nattino, H.−D. Meyer and G.−J. Kroes
    Phys. Chem. Chem. Phys. 18 (2016), 8174
    Rotational effects on the dissociation dynamics of CHD3 on Pt(111)

  162. M. Förstel, M. Mucke, T. Arion, T. Lischke, M. Pernpointner, U. Hergenhahn and E. Fasshauer
    J. Phys. Chem. C 120 (2016), 22957
    Long−Range Interatomic Coulombic Decay in ArXe Clusters: Experiment and Theory

  163. A. Csehi, G. J. Halász, L. S. Cederbaum and Á. Vibók
    J. Chem. Phys. 144 (2016), 074309
    Tracking the photodissociation probability of D2+ induced by linearly chirped laser pulses

  164. I. Baldea
    RSC Adv. 6 (2016), 93715
    Fractional molecular charge studied via molecular vibrational properties. Specific aspects in Jahn−Teller active molecular species

  165. I. Baldea
    Int. J. Nanotech. 13 (2016), 685
    Important impact of the experimental platform on the efficient control of electronic and vibrational properties of molecular junctions

  166. I. Baldea
    Beilstein Journal of Nanotechnology 7 (2016), 418
    Invariance of molecular charge transport upon changes of extended molecule size and several related issues

  167. I. Baldea
    RSC Adv. 6 (2016), 111903
    Tuning the conformation of floppy molecules by charge transfer

  168. A. N. Artemyev, A. D. Müller, D. Hochstuhl, L. S. Cederbaum and Ph. V. Demekhin
    Phys. Rev. A 93 (2016), 043418
    Dynamic interference in the photoionization of He by coherent intense high−frequency laser pulses: Direct propagation of the two−electron wave packets on large spatial grids

  169. N. Ansari and H.−D. Meyer
    J. Chem. Phys. 144 (2016), 054308
    Isotope effects of ground and lowest vibrational states of H3−xDxO2 complexes

  170. S. Klaiman, A. U. Lode, K. Sakmann, O. I. Streltsova, O. E. Alon, L. S. Cederbaum and A. I. Streltsov
    in: High Performance Computing in Science and Engineering '14, ed. W. E. Nagel and D. H. Köner and M. M. Resch, Springer International Publishing, (2015)
    Quantum Many−Body Dynamics of Trapped Bosons with the MCTDHB Package: Towards New Horizons with Novel Physics

  171. I. Baldea
    in: Molecular Electronics: An Experimental and Theoretical Approach, ed. I. Baldea, Pan Stanford, (2015)
    Transition Voltage Spectroscopy: An Appealing Tool of Investigation in Molecular Electronics

  172. I. Baldea, eds.
    Molecular Electronics: An Experimental and Theoretical Approach,
    Pan Stanford, Boca Raton (2015)

  173. Z. Xie, I. Baldea, C. E. Smith, Y. Wu and C. D. Frisbie
    ACS Nano 9 (2015), 8022
    Experimental and Theoretical Analysis of Nanotransport in Oligophenylene Dithiol Junctions as a Function of Molecular Length and Contact Work Function

  174. B. Schütte, M. Arbeiter, Th. Fennel, G. Jabbari, A. I. Kuleff, M. J. J. Vrakking and A. Rouzée
    Nature Commun. 6 (2015), 8596
    Observation of correlated electronic decay in expanding clusters triggered by near−infrared fields

  175. A. Sanchez−Gonzalez, T. R. Barillot, R. J. Squibb, P. Kolorenc, M. Agaker, V. Averbukh, M. J. Bearpark, C. Bostedt, J. D. Bozek, S. Bruce, S. Carron Montero, R. N. Coffee, B. Cooper, J. P. Cryan, M. Dong, J. H. D Eland, L. Fang, H. Fukuzawa, M. Guehr, M. Ilchen, A. S. Johnsson, C. Liekhus, A. Marinelli, T. Maxwell, K. Motomura, M. Mucke, A. Natan, T. Osipov, C. Östlin, M. Pernpointner, V. S. Petrovic, M. A. Robb, C. Sathe, E. R. Simpson, J. G. Underwood, M. Vacher, D. J. Walke, T. J. A. Wolf, V. Zhaunerchyk, J.−E. Rubensson, N. Berrah, P. H. Bucksbaum, K. Ueda, R. Feifel, L. J. Frasinski and J. P. Marangos
    J. Phys. B48 (2015), 234004
    Auger electron and photoabsorption spectra of glycine in the vicinity of the oxygen K−edge measured with an X−FEL

  176. P. Ottiger, H. Köppel and S. Leutwyler
    Chem. Sci. 6 (2015), 6059
    Excitonic splittings in molecular dimers: why static ab initio calculations cannot match them

  177. B. Nikoobakht, M. Siebert and M. Pernpointner
    Mol. Phys. 113 (2015), 3431
    A four−component Fock−space coupled cluster investigation of the HM(CO)5, (M=Mn, Re) photoelectron spectra

  178. S. Ndengue, R. Daves, F. Gatti and H.−D. Meyer
    J. Phys. Chem. A 119 (2015), 12043
    Resonances of HCO computed using an approach based on the Multiconfiguration Time−Dependent Hartree method

  179. Q. Meng and H.−D. Meyer
    J. Chem. Phys. 143 (2015), 164310
    Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations

  180. A. Marciniak, V. Despré, T. Barillot, A. Rouzée, M. C. E. Galbraith, J. Klei, C.−H. Yang, C. T. L. Smeenk, V. Loriot, S. Nagaprasad Reddy, A. G. G. M. Tielens, S. Mahapatra, A. I. Kuleff, M. J. J. Vrakking and F. Lépine
    Nature Commun. 6 (2015), 7909
    XUV excitation followed by ultrafast non−adiabatic relaxation in PAH molecules as a femto−astrochemistry experiment

  181. C. Lévêque, R. Taïeb and H. Köppel
    Chem. Phys. 460 (2015), 135
    Theoretical assignment of the Clements bands of SO2

  182. N. V. Kryzhevoi, F. Tarantelli and L. S. Cederbaum
    Chem. Phys. Lett. 626 (2015), 85
    Tracing electron solvation in Li− (NH3)n clusters with K−shell photodetachment spectroscopy

  183. C. M. Krauter, S. Bernadotte, C. R. Jacob, M. Pernpointner and A. Dreuw
    J. Phys. Chem. C119 (2015), 24564
    Identification of Plasmons in Molecules with Scaled Ab Initio Approaches

  184. S. Kopec, P. Ottiger, S. Leutwyler and H. Köppel
    J. Chem. Phys 142 (2015), 084308
    Analysis of the S2 <− S0 vibronic spectrum of the ortho−cyanophenol dimer using a multimode vibronic coupling approach

  185. A. Komainda, A. Zech and H. Köppel
    J. Mol. Spectrosc. 311 (2015), 25
    Ab initio quantum study of UV absorption spectra of cis− and trans−hexatriene

  186. S. Klaiman and L. S. Cederbaum
    Angew. Chem. 54 (2015), 10470
    Barrierless single−electron−induced cis−trans isomerization

  187. G. Jabbari, T. Miteva, V. Stumpf, K. Gokhberg, P. O'Keeffe, A. Ciavardini, P. Bolognesi, M. Coreno, L. Avaldi, E. Keshavarz, M. Ghandehari, M. Tozihi, C. Callegari, M. Alagia, K. C. Prince, A. Kivimäkig and R. Richterf
    Phys. Chem. Chem. Phys. 17 (2015), 22160
    Soft X−ray absorption spectroscopy of Ar2 and ArNe dimers and small Ar clusters

  188. G. J. Halász, Á. Vibók and L. S. Cederbaum
    J. Phys. Chem. Lett. 6 (2015), 348
    Direct signature of light−induced conical intersections in diatomics

  189. E.V. Gromov, S. Klaiman and L.S. Cederbaum
    Mol. Phys. 113 (2015), 2964
    Influence of caged noble−gas atom on the superatomic and valence states of C60

  190. N. V. Golubev and A. I. Kuleff
    Phys. Rev. A 91 (2015), 051401(R)
    Control of charge migration in molecules by ultrashort laser pulses

  191. E. Faßhauer, P. Kolorenc and M. Pernpointner
    J. Chem. Phys. 142 (2015), 144106
    Relativistic decay widths of autoionization processes: The relativistic FanoADC−Stieltjes method

  192. A. Dubrouil, M. Reduzzi, M. Devetta, C. Feng, J. Hummert, P. Finetti, O. Plekan, C. Grazioli, M. Di Fraia, V. Lyamayev, A. LaForge, F. Stienkemeier, Y. Ovcharenko, M. Coreno, P. O'Keeffe, N. Berrah, K. Motomura, S. Mondal, K. Ueda, K. Prince, C. Callegari, A. I. Kuleff, Ph. V. Demekhin and G. Sansone
    J. Phys. B 48 (2015), 204005
    Two−photon resonant excitation of interatomic Coulombic decay in neon dimers

  193. V. Desprée, A. Marciniak, V. Loriot, M. C. E. Galbraith, A. Rouzée, M. J. J. Vrakking, F. Lépine and A. I. Kuleff
    J. Phys. Chem. Lett. 6 (2015), 426
    Attosecond hole migration in benzene molecules surviving nuclear motion

  194. P. V. Demekhin and L. S. Cederbaum
    Phys. Rev. A 91 (2015), 013417
    Quantum oscillations between close−lying states mediated by the electronic continuum in intense high−frequency pulses

  195. A. Csehi, G. J. Halász, L. S. Cederbaum and Á. Vibók
    J. Chem. Phys. 143 (2015), 014305
    Photodissociation of D2+ induced by linearly chirped laser pulses

  196. L. S. Cederbaum
    Chem. Phys. 457 (2015), 129
    The exact wavefunction of interacting N degrees of freedom as a product of N single−degree−of−freedom wavefunctions

  197. S. Brandt and M. Pernpointner
    Chem. Phys. 455 (2015), 7
    Calculation of the lowest electronic excitations of the alkaline earth metals using the relativistic polarization propagator

  198. R. Beinke, S. Klaiman, L. S. Cederbaum, A. I. Streltsov and O. E. Alon
    Phys. Rev. A 92 (2015), 043627
    Many−body tunneling of Bose−Einstein condensates and vortex states in two spatial dimensions

  199. A. Bande, F. M. Pont, K. Gokhberg and L. S. Cederbaum
    EPJ Web Conf. 84 (2015), 07002
    Interatomic Coulombic electron capture in atomic, molecular, and quantum dot systems

  200. I. Baldea
    Phys. Chem. Chem. Phys. 17 (2015), 31260
    Counterintuitive issues in the charge transport through molecular junctions

  201. I. Baldea
    Phys. Chem. Chem. Phys. 17 (2015), 20217
    Important issues facing model−based approaches to tunneling transport in molecular junctions

  202. I. Baldea
    Phys. Chem. Chem. Phys. 17 (2015), 15756
    Important impact of the molecule−electrode couplings asymmetry on the efficiency of bias−driven redox processes in molecular junctions

  203. I. Baldea, Z. Xie and C. D. Frisbie
    Nanoscale 7 (2015), 10465
    Uncovering a law of corresponding states for electron tunneling in molecular junctions

  204. M. Assmann, H. Köppel and S. Matsika
    Phys. Chem. A, 119 (2015), 866
    Photoelectron spectrum and dynamics of the uracil cation

  205. O. Vendrell, M. Schröder and H.−D. Meyer
    in: Molecular Quantum Dynamics, ed. F. Gatti, Springer, Heidelberg (2014)
    Vibrational Spectroscopy and Molecular Dynamics

  206. H. Köppel
    in: Molecular Quantum Dynamics, ed. F. Gatti, Springer, Heidelberg (2014)
    Vibronic coupling effects in spectroscopy and non−adiabatic transitions in molecular photodynamics

  207. G. Klatt and H. Köppel
    in: Molecular catalysts: Structural and functional design, ed. L. Gade and P. Hofmann, Wiley−VCH, Weinheim (2014)
    Quantum dynamics of molecular elementary processes in catalytic transformations

  208. J. P. Zobel, N. V. Kryzhevoi and M. Pernpointner
    J. Chem. Phys. 140 (2014), 161103
    Communication: Electron transfer mediated decay enabled by spin−orbit interaction in small krypton/xenon clusters

  209. V. Stumpf, N. V. Kryzhevoi, K. Gokhberg and L. S. Cederbaum
    Phys. Rev. Lett. 112 (2014), 193001
    Enhanced one−photon double ionization of atoms and molecules in an environment of different species

  210. O. I. Streltsova, O. E. Alon, L. S. Cederbaum and A. I. Streltsov
    Phys. Rev. A 89 (2014), 061602 (R)
    Generic regimes of quantum many−body dynamics of trapped bosonic systems with strong repulsive interactions

  211. P. Slavícek, B. Winter, L. S. Cederbaum and N. V. Kryzhevoi
    J. Am. Chem. Soc. 136 (2014), 18170
    Proton−transfer mediated enhancement of nonlocal electronic relaxation processes in x−ray irradiated liquid water

  212. M. Schröder and H.−D. Meyer
    J. Chem. Phys. 141 (2014), 034116
    Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi−configuration time−dependent Hartree method

  213. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. A 89 (2014), 023602
    Universality of fragmentation in the Schrödinger dynamics of bosonic Josephson junctions

  214. K. Sadri, D. Lauvergnat, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 141 (2014), 114101
    Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi−configuration time−dependent Hartree (MCTDH) approach

  215. M. Ruberti, R. Yun, K. Gokhberg, S. Kopelke, L. S. Cederbaum, F. Tarantelli and V. Averbukh
    J. Chem. Phys. 140 (2014), 184107
    Total photoionization cross−sections of excited electronic states by the algebraic diagrammatic construction−Stieltjes−Lanczos method

  216. M. Pernpointner
    J. Chem. Phys. 140 (2014), 084108
    The relativistic polarization propagator for the calculation of electronic excitations in heavy systems

  217. D. Pelaez, K. Sadri and H.−D. Meyer
    Spectrochimica Acta Part A 119 (2014), 42
    Full−dimensional MCTDH/MGPF study of the ground and lowest lying vibrational states of the bihydroxide H3O2 complex

  218. F. Otto
    J. Chem. Phys. 140 (2014), 014106
    Multi−Layer Potfit: An accurate potential representation for efficient high−dimensional quantum dynamics

  219. S. Ndengue, S. Madronich, F. Gatti, H.−D. Meyer, O. Motapon and R. Jost
    J. Geophys. Res. Atmos. 119 (2014), 4286
    Ozone photolysis: Strong isotopologue/isotopomer selectivity in the stratosphere

  220. T. Miteva, Y.−C. Chiang, P. Kolorenc, A. I. Kuleff, L. S. Cederbaum and K. Gokhberg
    J. Chem. Phys. 141 (2014), 164303
    The effect of the partner atom on the spectra of interatomic Coulombic decay triggered by resonant Auger processes

  221. T. Miteva, Y.−C. Chiang, P. Koloren?, A. I. Kuleff, K. Gokhberg and L. S. Cederbaum
    J. Chem. Phys. 141 (2014), 064307
    Interatomic Coulombic decay following resonant core excitation of Ar in argon dimer

  222. Q. Meng and H.−D. Meyer
    J. Chem. Phys. 141 (2014), 124309
    A full−dimensional multilayer multiconfiguration time−dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide

  223. A. U. J. Lode, S. Klaiman, O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    Phys. Rev. A 89 (2014), 053620
    Controlling the velocities and the number of emitted particles in the tunneling to open space dynamics

  224. C. Lévêque, D. Pelaez, H. Köppel and R. Taieb
    Nature Communications 5 (2014), 4126
    Direct observation of spin−forbidden transitions through the use of suitably polarized light

  225. C. Lévêque, H. Köppel and R. Taieb
    J. Chem. Phys. 140 (2014), 204303
    Excited state dynamics in SO2. III. An ab initio quantum study of single− and multi−photon ionization

  226. C. Lévêque, R. Taieb and H. Köppel
    J. Chem. Phys. Commun. 140 (2014), 091101
    Theoretical prediction of the importance of the 3B2 state in the dynamics of sulfur dioxide

  227. S. R. Leone, C. W. McCurdy, J. Burgdörfer, L. S. Cederbaum, Z. Chang, N. Dudovich, J. Feist, C. H. Greene, M. Ivanov, R. Kienberger, U. Keller, M. F. Kling, Z.−H. Loh, T. Pfeifer, A. N. Pfeiffer, R. Santra, K. Schafer, A. Stolow, U. Thumm and M. J. J. Vrakking
    Nature Photonics 8 (2014), 162
    What will it take to observe processes in 'real time'?

  228. B. Lasorne, J. Jornet−Somoza, H.−D. Meyer, D. Lauvergnat, M. A. Robb and F. Gatti
    Spectrochimica Acta Part A 119 (2014), 52
    Vertical transition energies vs. absorption maxima: Illustration with the UV absorption spectrum of ethylene

  229. A. I. Kuleff and L. S. Cederbaum
    J. Phys. B 47 (2014), 124002
    Ultrafast correlation−driven electron dynamics

  230. C. M. Krauter, J. Schirmer, C. R. Jacob, M. Pernpointner and A. Dreuw
    J. Chem. Phys. 141 (2014), 104101
    Plasmons in molecules: Microscopic characterization based on orbital transitions and momentum conservation

  231. A. Knie, A. Hans, M. Förstel, U. Hergenhahn, P. Schmidt, P. Reiß, C. Ozga, B. Kambs, F. Trinter, J. Voigtsberger, D. Metz, T. Jahnke, R. Dörner, A. I. Kuleff, L. S. Cederbaum, P. V. Demekhin and A. Ehresmann
    New J. Phys. 16 (2014), 102002
    Detecting ultrafast interatomic electronic processes in media by fluorescence

  232. S. Klaiman and L. S. Cederbaum
    J. Chem. Phys. 141 (2014), 194104
    The best orbital and pair function for describing ionic and excited states on top of the exact ground state

  233. S. Klaiman, E. V. Gromov and L. S. Cederbaum
    Phys. Chem. Chem. Phys. 16 (2014), 13287
    All for one and one for all: accommodating an extra electron in C60

  234. S. Klaiman, A. U. J. Lode, A. I. Streltsov, L. S. Cederbaum and O. E. Alon
    Phys. Rev. A 90 (2014), 043620
    Breaking the resilience of a two−dimensional Bose−Einstein condensate to fragmentation

  235. S. Klaiman and L. S. Cederbaum
    Phys. Rev. A 89 (2014), 039908 (E)
    Erratum: Non−Hermitian Hamiltonians with space−time symmetry

  236. L. Joubert−Doriol, D. Lauvergnat, H.−D. Meyer and F. Gatti
    J. Chem. Phys. 140 (2014), 044301
    A generalized vibronic−coupling Hamiltonian model for benzopyran

  237. G. Jabbari, S. Klaiman, Y.−C. Chiang, F. Trinter, T. Jahnke and K. Gokhberg
    J. Chem. Phys. 140 (2014), 224305
    Ab initio calculation of ICD widths in photoexcited HeNe

  238. J. Hodgkiss, G. Conboy, G. Hutchings, S. Higgins, I. Galbraith, N. Findlay, R. Taylor, M. Salle, S. Zhang, G. Frey, I. Bâldea, I. Samuel, B. Ebenhoch, F. Wudl, A. Turak, B. Xu, E. Angioni, R. Venkatramani, U. Lemmer, D. Perepichka, A. Kanibolotsky, P. Skabara, J. Wildman, E. Zysman−Colman, D. Bradley, I. McCulloch, J. McDouall, S. Ponomarenko, J. Nelson and J.−S. Kim
    Faraday Discuss. 174 (2014), 341
    Organic photovoltaics and energy: general discussion

  239. J. Hodgkiss, E. Zysman−Colman, S. Higgins, G. Solomon, I. Bâldea, I. Samuel, L. Venkataraman, F. Wudl, B. Xu, R. Venkatramani, H. Ottosson, D. Perepichka, U. Lemmer, P. Skabara, A. Mount and D. Bradley
    Faraday Discuss. 174 (2014), 125
    Molecular electronics: general discussion

  240. N. V. Golubev and A. I. Kuleff
    Phys. Rev. A 90 (2014), 035401
    Control of populations of two−level systems by a single resonant laser pulse

  241. K. Gokhberg, P. Kolorenc, A. I. Kuleff and L. S. Cederbaum
    Nature 505 (2014), 661
    Site− and energy−selective slow−electron production through intermolecular Coulombic decay

  242. E. Faßhauer, M. Förstel, S. Pallmann, M. Pernpointner and U. Hergenhahn
    New J. Phys. 16 (2014), 103026
    Using ICD for structural analysis of clusters: A case study on NeAr clusters

  243. E. Fasshauer, M. Förstel, S. Pallmann, M. Pernpointer and U. Hergenhahn
    New J. Phys. 16 (2014), 103026
    Using ICD for structural analysis of clusters: a case study on NeAr clusters

  244. A. D. Dutoi and L. S. Cederbaum
    Phys. Rev. A 90 (2014), 023414
    Time−resolved pump−probe spectroscopy to follow valence electronic motion in molecules : Application

  245. Y.−C. Chiang, S. Klaiman, F. Otto and L. S. Cederbaum
    J. Chem. Phys. 140 (2014), 054104
    The exact wavefunction factorization of a vibronic coupling system

  246. L. S. Cederbaum
    J. Chem. Phys. 141 (2014), 029902
    Erratum: "The exact wavefunction as a product of an electronic and a nuclear wavefunction" [J. Chem. Phys. 138, 224110 (2013)]

  247. I. Brezinova, J. Burgdörfer, A. U. J. Lode, A. I. Streltsov, L. S. Cederbaum, O. E. Alon, L. A. Collins and B. I. Schneider
    J. Phys. Conf. Ser. 488 (2014), 012032
    Elastic scattering of a Bose−Einstein condensate at a potential landscape

  248. I. Baldea
    J. Phys. Chem. C 118 (2014), 8676
    Single−Molecule Junctions Based on Bipyridine: Impact of an Unusual Reorganization on the Charge Transport

  249. I. Baldea
    Nanotechnology 25 (2014), 455202
    Quantifying the relative molecular orbital alignment for molecular junctions with similar chemical linkage to electrodes

  250. I. Baldea
    Faraday Discuss. 174 (2014), 37
    A quantum chemical study from a molecular transport perspective: ionization and electron attachment energies for species often used to fabricate single−molecule junctions

  251. I. Baldea
    RSC Adv. 4 (2014), 33257
    Concurrent conductance and transition voltage spectroscopy study of scanning tunneling microscopy vacuum junctions. Does it unravel new physics?

  252. I. Baldea
    Phys. Chem. Chem. Phys. 16 (2014), 25942
    Electrochemical setup − a unique chance to simultaneously control orbital energies and vibrational properties of single−molecule junctions with unprecedented efficiency

  253. I. Baldea and H. Köppel
    J. Nanomater. Mol. Nanotechnol. 3 (2014), 1
    From Quantum−Dot Nanorings to Polyacetylene via Small Annulenes. A Full Configuration Interaction Description Based on an Extended Hubbard−Su−Schrieffer−Heeger Model

  254. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    J. Chem. Phys. 140 (2014), 034108
    Unified view on linear response of interacting identical and distinguishable particles from multiconfigurational time−dependent Hartree methods

  255. V. K. Voora, L. S. Cederbaum and K. D. Jordan
    J. Phys. Chem. Lett. 4 (2013), 849
    Existence of a correlation bound s−type anion state of C60

  256. M. Tashiro, N. V. Kryzhevoi, L. S. Cederbaum and M. Ehara
    J. Phys. B 46 (2013), 164012
    Polarization and site dependence of interatomic relaxation effects in double core hole states

  257. V. Stumpf, P. Kolorenc, K. Gokhberg and L. S. Cederbaum
    Phys. Rev. Lett. 110 (2013), 258302
    Efficient pathway to neutralization of multiply charged ions produced in Auger processes

  258. M. Schröder, D. Pelaez and H.−D. Meyer
    in: High Performance Computing in Science and Engineering '13, ed. W.E. Nagel, D.H. Kröner and M.M. Resch, Springer, Heidelberg (2013)
    Numerical studies of the Tunneling Splitting of Malonaldehyde and the Eigenstates of Hydrated Hydroxyde Anion Using MCTDH

  259. M. Ruberti, R. Yun, K. Gokhberg, S. Kopelke, L. S. Cederbaum, F. Tarantelli and V. Averbukh
    J. Chem. Phys. 139 (2013), 144107
    Total molecular photoionization cross−sections by algebraic diagrammatic construction−Stieltjes−Lanczos method: Benchmark calculations

  260. E. Pradhan, J. L. Carreon−Macedo, J. E. Cuervo, Markus Schröder and Alex Brown
    J. Phys. Chem. A 117 (2013), 6925
    Ab Initio Potential Energy and Dipole Moment Surfaces for CS2: Determination of Molecular Vibrational Energies

  261. F. M. Pont, A. Bande and L. S. Cederbaum
    Phys. Rev. B 88 (2013), 241304
    Controlled energy−selected electron capture and release in double quantum dots

  262. M. Pernpointner and F. Salopiata
    J. Phys. B, 46 (2013), 125101
    A four−component quadratic vibronic coupling approach to the Renner−Teller Effect in linear triatomic molecules. The 2Π1/2, 2Π3/2 manifold of BrCN+ and ClCN+

  263. D. Pelaez and H.−D. Meyer
    J. Chem. Phys. 138 (2013), 014108
    The multigrid POTFIT (MGPF) method: Grid representations of potentials for quantum dynamics of large systems

  264. M. Ndong, A. Nauts, L. Joubert−Doriol, H.−D. Meyer, F. Gatti and D. Lauvergnat
    J. Chem. Phys. 139 (2013), 204107
    Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach: general formulation and removal of singularities

  265. Q. Meng and H.−D. Meyer
    J. Chem. Phys. 139 (2013), 164709
    MCTDH study on vibrational states of the CO/Cu(100) system

  266. Q. Meng and H.−D. Meyer
    J. Chem. Phys. 138 (2013), 014313
    A multilayer MCTDH study on the full dimensional vibronic dynamics of naphthalene and anthracene cations

  267. R. F. Malenda, F. Gatti, H.−D. Meyer, D. Talbi and A. P. Hickman
    Chem. Phys. Lett. 585 (2013), 184
    Comparison of the multi−configuration, time−dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled−channel method for rotationally inelastic scattering

  268. A.U.J Lode, K. Sakmann, R.A. Doganov, J. Grond, O.E. Alon, A.I. Streltsov and L.S. Cederbaum
    in: High Performance Computing in Science and Engineering '13, ed. W.E. Nagel, D.H. Kröner and M.M. Resch, Springer, Heidelberg (2013)
    Numerically−Exact Schrödinger Dynamics of Closed and Open Many−Boson Systems with the MCTDHB Package

  269. C. Lévêque, A. Komainda, R. Taieb and H. Köppel
    J. Chem. Phys. 138 (2013), 044320
    Ab initio quantum study of the photodynamics and absorption spectrum for the coupled 11A2 and 11B1 states of SO2

  270. A. I. Kuleff, S. Lünnemann and L. S. Cederbaum
    Chem. Phys. 414 (2013), 100
    Electron−correlation−driven charge migration in oligopeptides

  271. N. V. Kryzhevoi, D. Mateo, M. Pi, M. Barranco and L. S. Cederbaum
    Phys. Chem. Chem. Phys., 15 (2013), 18167
    Probing the interface of doped isotopically mixed helium droplets by the directional anisotropy of interatomic Coulombic decay

  272. C. M. Krauter, J. Möhring, T. Buckup, M. Pernpointner and M. Motzkus
    Phys. Chem. Chem. Phys. 15 (2013), 17846
    Ultrafast branching in the excited state of coumarin and umbelliferone

  273. C. M. Krauter, M. Pernpointner and A. Dreuw
    J. Chem. Phys. 138 (2013), 044107
    Application of the scaled−opposite−spin approximation to algebraic diagrammatic construction schemes of second order

  274. A. Komainda, B. Ostojic and H. Köppel
    J. Phys. Chem. A 117 (2013), 8782
    Ab initio quantum study of nonadiabatic S1−S2 photodynamics of s−trans butadiene

  275. G. Klatt, R. Xu, M. Pernpointner, L. Molinari, T.−Q. Hung, F. Rominger, S. Hashmi and H. Köppel
    Chem. Eur. J. 19 (2013), 3954
    Are beta−H eliminations or alkene insertions feasible elementary steps in catalytic cycles involving gold(I) alkyl species or gold(I) hydrides?

  276. S. Klaiman, E. V. Gromov and L. S. Cederbaum
    J. Phys. Chem. Lett. 4 (2013), 3319
    Extreme correlation effects in the elusive bound spectrum of C60

  277. S. H. Kaufman, J. M. Weber and M. Pernpointner
    J. Chem. Phys. 139 (2013), 194310
    Electronic structure and UV spectrum of hexachloroplatinate dianions in vacuo

  278. N. Ibrahim, M. H. Vilhelmsen, M. Pernpointner, F. Rominger, A. Stephen and K. Hashmi
    Organometallics, 32 (2013), 2576
    Gold Phenolate Complexes: Synthesis, Structure and Reactivity

  279. M. M. Hansmann, M. Pernpointner, R. Döpp and A. S. K. Hashmi
    Chem. Eur. J. 19 (2013), 15290
    A Theoretical DFT−based and an Experimental Study of the Transmetalation Step in Au/Pd Mediated Cross−Coupling Reactions.

  280. G. J. Halasz, A. Vibok, H.−D. Meyer and L. S. Cederbaum
    J. Phys. Chem. A 117 (2013), 8528
    Effect of Light−Induced Conical Intersection on the Photodissociation Dynamics of the D2+ Molecule

  281. G. Halaz, A. Vibok, N. Moiseyev and L. S. Cederbaum
    Phys. Rev. A 88 (2013), 043413
    Nuclear−wave−packet quantum interference in the intense laser dissociation of the D2+ molecule

  282. J. Grond, A. I. Streltsov, A. U. J. Lode, K. Sakmann, L. S. Cederbaum and O. E. Alon
    Phys. Rev. A 88 (2013), 023606
    Excitation spectra of many−body systems by linear response: General theory and applications to trapped condensates

  283. E. V. Gromov, V. S. Reddy, F. Gatti and H. Köppel
    J. Chem. Phys. 139 (2013), 234306
    Reaction surface approach to multimode vibronic coupling problems: General framework and application to furan

  284. E. Faßhauer, M. Pernpointner and K. Gokhberg
    J. Chem. Phys. 138 (2013), 014305
    Interatomic decay of inner−valence ionized states in ArXe clusters: Relativistic approach.

  285. Elke Fasshauer, Markus Pernpointner and Kirill Gokhberg
    J. Chem. Phys. 138 (2013), 014305
    Interatomic decay of inner−valence ionized states in ArXe clusters: Relativistic approach

  286. A. D. Dutoi, K. Gokhberg and L. S. Cederbaum
    Phys. Rev. A 88 (2013), 013419
    Time−resolved pump−probe spectroscopy to follow valence electronic motion in molecules: Theory

  287. R. A. Doganov, S. Klaiman, O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    Phys. Rev. A 87 (2013), 033631
    Two trapped particles interacting by a finite−range two−body potential in two spatial dimensions

  288. Ph. V. Demekhin and L. S. Cederbaum
    J. Phy. B 46 (2013), 164008
    Resonant Auger decay of core−excited CO molecules in intense x−ray laser pulses: the O (1s → Π*) excitation

  289. Ph. V. Demekhin and L. S. Cederbaum
    J. Chem. Phys. 139 (2013), 154314
    Light−induced conical intersections in polyatomic molecules: General theory, strategies of exploitation, and application

  290. Ph. V. Demekhin and L. S. Cederbaum
    Phys. Rev. A 88 (2013), 043414
    ac Stark effect in the electronic continuum and its impact on the photoionization of atoms by coherent intense short high−frequency laser pulses

  291. Ph. V. Demekhin, D. Hochstuhl and L. S. Cederbaum
    Phys. Rev. A 88 (2013), 023422
    Photoionization of hydrogen atoms by coherent intense high−frequency short laser pulses: Direct propagation of electron wave packets on large spatial grids

  292. Ph. V. Demekhin, K. Gokhberg, G. Jabbari, S. Kopelke, A. I. Kuleff and L. S. Cederbaum
    J. Phys. B 46 (2013), 021001
    Overcoming blockade in producing doubly excited dimers by a single intense pulse and their decay

  293. L. S. Cederbaum
    J. Chem. Phys. 138 (2013), 224110
    The exact molecular wavefunction as a product of an electronic and a nuclear wavefunction

  294. D. Brox, A. Kiel, S. J. Wörner, M. Pernpointner, P. Comba, B. Martin and D.−P. Herten
    PLOS One 8 (2013), e58049
    Ensemble and Single−Molecule Studies on Fluorescence Quenching in Transition Metal Bibyridine−Complexes.

  295. Ioan Baldea
    Nanoscale 5 (2013), 9222
    Transition voltage spectroscopy reveals significant solvent effects on molecular transport and settles an important issue in bipyridine−based junctions

  296. I. Baldea
    J. Phys. Chem. C, 117 (2013), 25798
    Important Insight into Electron Transfer in Single−Molecule Junctions Based on Redox Metalloproteins from Transition Voltage Spectroscopy

  297. I Baldea, H Köppel and W. Wenzel
    Phys. Chem. Chem. Phys. 15 (2013), 1918
    (4, 4')−Bipyridine in vacuo and in solvents: A quantum chemical study of a prototypical floppy molecule from a molecular transport perspective

  298. I. Baldea
    Electrochem. Commun. 36 (2013), 19
    Demonstrating why DFT−calculations for molecular transport in solvents need scissor corrections

  299. O.E. Alon, A.I. Streltsov, K. Sakmann and L.S. Cederbaum
    in: Quantum Gases: Finite Temperature and Non−Equilibrium Dynamics (Vol. 1 Cold Atoms Series), ed. N.P. Proukakis, S.A. Gardiner, M.J. Davis and M.H. Szymanska, Im. College Press, London (2013)
    Multiconfigurational Time−Dependent Hartree Methods for Bosonic Systems: Theory and Applications

  300. R. Xu, G. Klatt, M. Enders and H. Köppel
    J. Phys. Chem. A 116 (2012), 1077
    Theoretical evaluation of ethylene insertion into chromium alkyl bonds of Cp−donor−based olefin polymerization catalysts

  301. V. P. Vysotskiy, L. S. Cederbaum, T. Sommerfeld, V. K. Voora and K. D. Jordan
    J. Chem. Theory Comput. 8 (2012), 893
    Benchmark calculations of the energies for binding excess electrons to water clusters

  302. A. Vibok, A. Csehi, E. Gindensperger, H. Köppel and G. J. Halász
    J. Phys. Chem. A 116 (2012), 2629
    Quantum dynamics through conical intersections: Combining effective modes and quadratic couplings

  303. J. Jornet Somoza, B. Lasorne, M. Robb, H.−D. Meyer, D. Lauvergnat and F. Gatti
    J. Chem. Phys 137 (2012), 084304
    A generalised 17−state vibronic−coupling Hamiltonian model for ethylene

  304. N. Sisourat, N. V. Kryzhevoi, P. Kolorenc anf S. Scheit and L. S. Cederbaum
    J. Phys.: Conf. Ser. 388 (2012), 012043
    Giant Interatomic Coulombic Decay

  305. J. Schirmer
    Phys. Rev. A 86 (2012), 012514
    Reexamination of the Runge−Gross action−integral−functional

  306. G. Sansone, T. Pfeifer, K. Simeonidis and A. I. Kuleff
    Chem. Phys. Chem. 13 (2012), 661
    Electron correlation in real time

  307. M. Sala, F. Gatti, D. Lauvergnat and H.−D. Meyer
    Phys. Chem. Chem. Phys. 14 (2012), 3791
    Effect of the overall rotation on the cis−trans isomerisation of HONO induced by an external field

  308. M. Sala, S. Guerin, F. Gatti, R. Marquardt and H.−D. Meyer
    J. Chem. Phys. 136 (2012), 194308
    Laser induced enhancement of tunneling in NHD2

  309. K. Sadri, D. Lauvergnat, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 136 (2012), 234112
    Numeric kinetic energy operators for molecules in polyspherical coordinates

  310. M. Pernpointner, J. P. Zobel and N. V. Kryzhevoi
    Phys. Rev. A 85 (2012), 012505
    Strong Configuration Interaction in the Double Ionization Spectra of Noble Gases Studied by the Relativistic Propagator Method

  311. F. Otto, F. Gatti and H.−D. Meyer
    Mol. Phys. 110 (2012), 619
    Rovibrational energy transfer in collisions of H2 with D2. A full−dimensional wave packet propagation study

  312. Ph. Ottiger, S. Leutwyler and H. Köppel
    J. Chem. Phys. 136 (2012), 174308
    Vibrational quenching of excitonic splittings in H−bonded molecular dimers: The electronic Davydov splittings cannot match experiment

  313. B. Nikoobakht, H. Köppel, E. Gindensperger and L. S. Cederbaum
    J. Chem. Phys. 137 (2012), 114110
    Efficient computation of adiabatic electronic populations in multi−mode vibronic systems: Theory, implementation, and application

  314. M. Ndong, L. Joubert Doriol, H.−D. Meyer, A. Nauts, F. Gatti and D. Lauvergnat
    J. Chem. Phys. 136 (2012), 034107
    Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach

  315. S. A. Ndengue, R. Schinke, F. Gatti, H.−D. Meyer and R. Jost
    J. Phys. Chem. A 116 (2012), 12271
    Ozone Photodissociation: Isotopic and Electronic Branching Ratios for Symmetric and Asymmetric Isotopologues

  316. S. A. Ndengue, R. Schinke, F. Gatti, H.−D. Meyer and R. Jost
    J. Phys. Chem. A 116 (2012), 12260
    Comparison of the Huggins Band for Six Ozone Isotopologues: Vibrational Levels and Absorption Cross Section

  317. Q. Meng, S. Faraji, O. Vendrell and H.−D. Meyer
    J. Chem. Phys. 137 (2012), 134302
    Full dimensional quantum−mechanical simulations for the vibronic dynamics of diflurorbenzene radical cation isomers using the multilayer multiconfiguration time−dependent Hartree method

  318. A. U. Lode, A. I. Streltsov, K. Sakmann, O. E. Alon and L. S. Cederbaum
    Proc. Natl. Acad. Sci. 109 (2012), 13521
    How an interacting many−body system tunnels through a potential barrier to open space

  319. A. U. J. Lode, K. Sakmann, O. E. Alon, L. S. Cederbaum and A. I. Streltsov
    Phys. Rev. A 86 (2012), 063606
    Numerically exact quantum dynamics of bosons with time−dependent interactions of harmonic type

  320. A. I. Kuleff, S. Lünnemann and L. S. Cederbaum
    Chem. Phys. 399 (2012), 245
    Ultrafast reorganization of the hole charge created upon outer−valence ionization of porphyrins

  321. N. V. Kryzhevoi and L. S. Cederbaum
    J. Phys. Chem. Lett. 3 (2012), 2733
    Exploring protonation and deprotonation effects with Auger electron spectroscopy

  322. N. V. Kryzhevoi, M. Tashiro, M. Ehara and L. S. Cederbaum
    J. Chem. Phys. 137 (2012), 154316
    Interatomic relaxation effects in double core ionization of chain molecules

  323. S. Kopec, Ph. Ottiger, S. Leutwyler and H. Köppel
    J. Chem. Phys. 137 (2012), 184312
    Vibrational quenching of excitonic splittings in H−bonded molecular dimers: Adiabatic description and effective mode approximation

  324. S. Kopelke, Y.−C. Chiang, K. Gokhberg and L. S. Cederbaum
    J. Chem. Phys. 137 (2012), 034302
    Quenching molecular photodissociation by intermolecular Coulombic decayâ

  325. L. Joubert−Doriol, B. Lasorne, F. Gatti, M. Schröder, O. Vendrell and H.−D. Meyer
    Comp. Theor. Chem. 990 (2012), 75
    Suitable coordinates for quantum dynamics: Applications using the multiconfiguration time−dependent Hartree (MCTDH) algorithm

  326. G. J. Halász, M. Sindelka, N. Moiseyev, L. S. Cederbaum and A. Vibók
    J. Phys. Chem. A 116 (2012), 2636
    Light−induced conical intersections: Topological phase, wave packet dynamics, and molecular alignment

  327. G. J. Halasz, A. Vibok, M. Sindelka, L. S. Cederbaum and N. Moiseyev
    Chem. Phys. 399 (2012), 146
    The effect of light−induced conical intersections on the alignment of diatomic molecules

  328. G. J. Halasz, A. Vibok, N. Moiseyev and L. S. Cederbaum
    J. Phys. B 45 (2012), 135101
    Light−induced conical intersections for short and long laser pulses: Floquet and rotating wave approximations versus numerical exact results

  329. J. Grond, A. I. Streltsov, L. S. Cederbaum and O. E. Alon
    Phys. Rev. A 86 (2012), 063607
    Excitation spectra of fragmented condensates by linear response: General theory and application to a condensate in a double−well potential

  330. E. V. Gromov, I. Burghardt, H. Köppel and L. S. Cederbaum
    J. Photochem. Photobiol. A 234 (2012), 123
    Native hydrogen bonding network of the photoactive yellow protein (PYP) chromophore: Impact on the electronic structure and photoinduced isomerization

  331. S. Gomez−Carrasco and H. Köppel
    J. Chem. Sci. 124 (2012), 247
    Quantum dynamical study of low−energy photoelectron bands of 2−phenylethyl−N,N−dimethylamine

  332. S. Faraji and H. Köppel
    J. Chem. Phys. 137 (2012), 22A531
    Multi−state interactions in the 1,2,3−trifluorobenzene radical cation

  333. M. Eroms, M. Jungen and H.−D. Meyer
    J. Phys. Chem. A 116 (2012), 11140
    Vibronic coupling effects in resonat Auger spectra of H2O

  334. A. Deuchert, K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. A86 (2012), 013618
    Dynamics and symmetries of a repulsively bound atom pair in an infinite optical lattice

  335. Ph. V. Demekhin and L. S. Cederbaum
    Phys. Rev. Lett 108 (2012), 253001
    Dynamic interference of photoelectrons produced by high−frequency laser pulses

  336. Ph. V. Demekhin and L. S. Cederbaum
    Phys. Rev. A 86 (2012), 063412
    Coherent intense resonant laser pulses lead to interference in the time domain seen in the spectrum of the emitted particles

  337. D. Davis, V. P. Vysotskiy, Y. Sajeev and L. S. Cederbaum
    Angew. Chem. Int. Ed. 51 (2012), 8003
    A one−step four−bond−breaking reaction catalyzed by an electron

  338. Y.−C. Chiang, F. Otto, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 136 (2012), 114111
    Kinetic energy release in fragmentation processes following electron emission: A time−dependent approach

  339. I. Brezinova, A. U. Lode, A. I. Streltsov, O. E. Alon, L. S. Cederbaum and J. Burgdörfer
    Phys. Rev. A86 (2012), 013630
    Wave chaos as signature for depletion of a Bose−Einstein condensate

  340. S. Bhattacharya, A. Kirwai, A. N. Panda and H.−D. Meyer
    J. Chem. Sci 124 (2012), 65
    Full dimensional quantum scattering study of the H2 + CN reaction

  341. I. Baldea
    J. Am. Chem. Soc. 134 (2012), 7958
    Interpretation of stochastic events in single−molecule measurements of conductance and transition voltage spectroscopy

  342. I. Baldea
    Chem. Phys. 400 (2012), 65
    Effects of stochastic fluctuations at molecule−electrode contacts in transition voltage spectroscopy

  343. I. Baldea
    Europhys. Lett. 99 (2012), 47002
    Extending the Newns−Anderson model to allow nanotransport studies through molecules with floppy degrees of freedom

  344. I. Baldea and H. Köppel
    Phys. Stat. Solidi (b) 249 (2012), 1791
    Transition voltage spectroscopy in vacuum break junction: the standard tunneling barrier model and beyond

  345. I. Baldea
    Europhys. Lett. 98 (2012), 17010
    Transition voltage spectroscopy in vacuum break junction: Possible role of surface states

  346. I. Baldea and H. Köppel
    Phys. Lett. A 376 (2012), 1645
    A physical limitation of the Wigner ``distribution'' function in molecular transport

  347. I. Baldea and H. Köppel
    Phys. Lett. A 376 (2012), 1472
    Evidence on single−molecule transport in electrostatically−gated molecular transistors

  348. I. Baldea
    J. Phys. Chem. Solids 73 (2012), 1151
    Transition voltage spectroscopy: Artefacts of the Simmons approach

  349. I. Baldea
    Phys. Rev. B 85 (2012), 035442
    Ambipolar transition voltage spectroscopy: Analytical results and experimental agreement

  350. V. Averbukh, L.S. Cederbaum, P.V. Demekhin, S. Scheit, P. Kolorenc, Y.−C. Chiang, K. Gokhberg, S. Kopelke, N.V. Kryzhevoi, A.I. Kuleff, N. Sisourat and S.D. Stoychev
    in: Dynamical Processes in Atomic and Molecular Physics, ed. G. Ogurtsov and D. Dowek, Bentham Science Publishers, Sharjah (2012)
    Interatomic Electronic Decay Processes in Clusters

  351. O. E. Alon, A. I. Streltsov, K. Sakmann, A. U. J. Lode, J. Grond and L. S. Cederbaum
    Chem. Phys. 401 (2012), 2
    Recursive formulation of the multiconfigurational time−dependent Hartree Method for fermions, bosons and mixtures thereof in terms of one−body density operators

  352. H.−D. Meyer
    WIREs Comp. Mol. Sci. 2 (2012), 351
    Studying molecular quantum dynamics with the multiconfiguration time−dependent Hartree method

  353. V. P. Vysotskiy and L. S. Cederbaum
    J. Chem. Theory Comput. 7 (2011), 320
    Accurate quantum chemistry in single precision arithmetic: Correlation energy

  354. O. Vendrell and H.−D. Meyer
    J. Chem. Phys. 134 (2011), 044135
    Multilayer multiconfiguration time−dependent Hartree method: Implementation and applications to a Henon−Heiles Hamiltonian and to pyrazine

  355. Y. Velkov, T. Miteva, N. Sisourat and J. Schirmer
    J. Chem. Phys. 135 (2011), 154113
    Intermediate state representation approach to physical properties of dicationic states

  356. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. Lett. 106 (2011), 240401
    Swift loss of coherence of soliton trains in attractive Bose−Einstein condensates

  357. A. I. Streltsov, K. Sakmann, O. E. Alon and L. S. Cederbaum
    Phys. Rev. A 83 (2011), 043604
    Accurate multi−boson long−time dynamics in triple−well periodic traps

  358. S. D. Stoychev, A. I. Kuleff and L. S. Cederbaum
    J. Am. Chem. Soc. 133 (2011), 6817
    Intermolecular Coulombic decay in small biochemically relevant hydrogen−bonded systems

  359. M. Sindelka, N. Moiseyev and L. S. Cederbaum
    J. Phys. B 44 (2011), 045603
    Strong impact of light−induced conical intersections on the spectrum of diatomic molecules

  360. M. Schröder, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 134 (2011), 234307
    Theoretical studies of the tunneling splitting of malonaldehyde using the multiconfiguration time−dependent Hartree approach

  361. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. A 84 (2011), 053622
    Number fluctuations of cold, spatially split bosonic objects

  362. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    New J. Phys. 13 (2011), 043003
    Optimal time−dependent lattice models for nonequilibrium dynamics

  363. K. Sakai, S. Stoychev, T. Ouchi, I. Higuchi, M. Schöffler, T. Mazza, H. Fukuzawa, K. Nagaya, M. Yao, Y. Tamenori, A. I. Kuleff, N. Saito and K. Ueda
    Phys. Rev. Lett. 106 (2011), 033401
    Electron−transfer−mediated decay and interatomic Coulombic decay from the triply ionized states in argon dimers

  364. W. Pokapanich, N. V. Kryzhevoi, N. Ottosson, S. Svensson, L. S. Cederbaum, G. Öhrwall and O. Björneholm
    J. Am. Chem. Soc. 133 (2011), 13430
    Ionic−charge dependence of the intermolecular Coulombic decay time scale for aqueous ions probed by the core−hole clock

  365. M. Pernpointner, A. I. Kuleff and L. S. Cederbaum
    in: Modeling of Molecular Properties, ed. P. Comba, Wiley, Weinheim (2011)
    Tracing Ultrafast Electron Dynamics by Modern Propagator Approaches

  366. T. Ouchi, K. Sakai, H. Fukuzawa, I. Higuchi, Ph. V. Demekhin, Y.−C. Chiang, S. D. Stoychev, A. I. Kuleff, T. Mazza, M. Schöffler, K. Nagaya, M. Yao, Y. Tamenori, N. Saito and K. Ueda
    Phys. Rev. A 83 (2011), 053415
    Interatomic Coulombic decay following Ne 1s Auger decay in NeAr

  367. T. Ouchi, K. Sakai, H. Fukuzawa, X.−J. Liu, I. Higuchi, Y. Tamenori, K. Nagaya, H. Iwayama, M. Yao, D. Zhang, D. Ding, A. I. Kuleff, S. D. Stoychev, Ph. V. Demekhin, N. Saito and K. Ueda
    Phys. Rev. Lett. 107 (2011), 053401
    Three−electron interatomic Coulombic decay from the inner−valence double−vacancy states in NeAr

  368. B. Nikoobakht, H. Köppel, E. Gindensperger and L. S. Cederbaum
    J. Chem. Phys. 135 (2011), 174110
    Efficient computation of adiabatic populations in multi−mode Jahn−Teller systems through the use of effective vibrational modes

  369. A. I. Kuleff and L. S. Cederbaum
    Phys. Rev. Lett. 106 (2011), 053001
    Radiation generated by the ultrafast migration of a positive charge following the ionization of a molecular system

  370. N. V. Kryzhevoi and L. S. Cederbaum
    J. Phys. Chem. B 115 (2011), 5441
    Nonlocal effects in the core ionization and Auger spectra of small ammonia clusters

  371. N. V. Kryzhevoi and L. S. Cederbaum
    Angew. Chem. Int. Ed 50 (2011), 1306
    Using pH value to control intermolecular electronic decay

  372. N. V. Kryzhevoi, R. Santra and L. S. Cederbaum
    J. Chem. Phys. 135 (2011), 084302
    Inner−shell single and double ionization potentials of aminophenol isomers

  373. H. Köppel, L.S. Cederbaum and S. Mahapatra
    in: Handbook of high resolution spectroscopy, ed. M. Quack and F. Merkt, Wiley, Chichester (2011)
    Theory of the Jahn−Teller effect

  374. S. Kopelke, K. Gokhberg, V. Aberbukh, F. Tarantelli and L. S. Cederbaum
    J. Chem. Phys. 134 (2011), 094107
    Ab initio interatomic decay widths of excited states by applying Stieltjes imaging to Lanczos pseudospectra

  375. S. Kopelke, K. Gokhberg, L. S. Cederbaum, F. Tarantelli and V. Averbukh
    J. Chem. Phys. 134 (2011), 024106
    Autoionization widths by Stieltjes imaging applied to Lanczos pseudospectra

  376. M. Kayanuma, C. Daniel, H. Köppel and E. Gindensperger
    Coord. Chem. Reviews 255 (2011), 2693
    Photophysics of isomerizable Re(I) complexes: A theoretical analysis

  377. D. M. P. Holland, A. W. Potts, L. Karlsson, I. L. Zaytseva, A. B. Trofimov, E. V. Gromov and J. Schirmer
    J. Phys. B 43 (2011), 135101
    The experimental and theoretical study of the valence shell photoelectron spectrum of bromochlorofluoromethane

  378. A. S. K. Hashmi, A. M. Schuster, S. Litters, F. Rominger and M. Pernpointner
    Chem. Eur. J. 17 (2011), 5661
    Gold Catalysis: 1,3−Oxazines by Cyclisation of Allene Amides

  379. A. S. K. Hashmi, M. Pernpointner and M. M. Hansmann
    Faraday Discuss. 152 (2011), 179
    Theoretical insights into the superior activity of gold catalysts and reactions of organogold intermediates with electrophiles

  380. G. Halász, A. Papp, E. Gindensperger, H. Köppel and A. Vibók
    Prog. Theor. Chem. Phys. 16 (2011), 287
    Short−time dynamics through conical intersections in macrosystems: Quadratic coupling extension

  381. G. J. Halász, Á. Vibók, M. Sindelka, N. Moiseyev and L. S. Cederbaum
    J. Phys. B 44 (2011), 175102
    Conical intersections induced by light: Berry phase and wave packet dynamics

  382. E. V. Gromov, I Burghardt, H. Köppel and L. S. Cederbaum
    J. Phys. Chem. A 115 (2011), 9237
    Photoinduced isomerization of the photoactive yellow protein (PYP) chromophore: Interplay of two torsions, a HOOP mode and hydrogen bonding

  383. E. V. Gromov, C. Lévêque, F. Gatti, I. Burghardt and H. Köppel
    J. Chem. Phys. 135 (2011), 164305
    Ab initio quantum dynamical study of photoinduced ring−opening in furan

  384. S. Gomez−Carrasco and H. Köppel
    Faraday Discuss. 150 (2011), 156−158
    Theoretical treatment of five strongly coupled electronic states of formaldehyde

  385. S. Faraji, S. Gómez−Carrasco and H. Köppel
    in: Conical Intersections: Theory, Computation and Experiment, ed. W. Domcke and D.R. Yarkony and H. Köppel, World Scientific, Singapore (2011)
    Multistate vibronic dynamics and multiple conical intersections

  386. S. Faraji, M. Vazdar, V. S. Reddy, M. Eckert−Maksic, H. Lischka and H. Köppel
    J. Chem. Phys. 135 (2011), 154310
    Ab initio quantum dynamical study of the multi−state nonadiabatic photodissociation of pyrrole

  387. T. Ernst, D. W. Hallwood, J. Gulliksen, H.−D. Meyer and J. Brand
    Phys. Rev. A 84 (2011), 023623
    Simulating strongly correlated multiparticle systems in a truncated Hilbert space

  388. A. D. Dutoi and L. S. Cederbaum
    J. Phys. Chem. Lett. 2 (2011), 2300
    An excited electron avoiding a positive charge

  389. A. D. Dutoi, M. Wormit and L. S. Cederbaum
    J. Chem. Phys. 134 (2011), 024303
    Ultrafast charge separation driven by differential particle and hole mobilities

  390. R. Döpp, C. Lothschütz, T. Wurm, M. Pernpointner, S. Keller, F. Rominger and A. S. K. Hashmi
    Organometallics 30 (2011), 5894
    Gold Catalysis: Hydrolysis of Di(alkoxy)carbenium Ion Intermediates as a Sensor for the Electronic Properties of Gold(I) Complexes.

  391. W. Domcke, D.R. Yarkony and H. Köppel, eds.
    Conical Intersections: Theory, Computation and Experiment,
    World Scientific, Singapore (2011)

  392. Ph. V. Demekhin, S. D. Stoychev, A. I. Kuleff and L. S. Cederbaum
    Phys. Rev. Lett. 107 (2011), 273002
    Exploring interatomic Coulombic decay by free electron lasers

  393. Ph. V. Demekhin, Y.−C. Chiang and L. S. Cederbaum
    Phys. Rev. A 84 (2011), 033417
    Resonant Auger decay of the core−excited C*O molecule in intense x−ray laser fields

  394. Ph. V. Demekhin and L. S. Cederbaum
    Phys. Rev. A 83 (2011), 023422
    Strong interference effects in the resonant Auger decay of atoms induced by intense x−ray fields

  395. D. Davis, V. P. Vysotskiy, Y. Sajeev and L. S. Cederbaum
    Angew. Chem. Int. Ed. 50 (2011), 4119
    Electron impact catalytic dissociation: Two−bond breaking by a low−energy catalytic electron

  396. Y.−C. Chiang, F. Otto, H.−D. Meyer and L. S. Cederbaum
    Phys. Rev. Lett. 107 (2011), 173001
    Interrelation between the distributions of kinetic energy release and emitted electron energy following the decay of electronic states

  397. L. S. Cederbaum, Y.−C. Chiang, Ph. V. Demekhin and N. Moiseyev
    Phys. Rev. Lett. 106 (2011), 123001
    Resonant Auger decay of molecules in intense x−ray laser fields: Light−induced strong nonadiabatic effects

  398. I. Burghardt, K. Hughes, R. Martinazzo, H. Tamura, E. Gindensperger, H. Köppel and L. S. Cederbaum
    in: Conical Intersections: Theory, Computation and Experiment, ed. W. Domcke and D.R. Yarkony and H. Köppel, World Scientific, Singapore (2011)
    Conical Intersections coupled to an Environment

  399. L. Blancafort, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 135 (2011), 134303
    Quantum dynamics study of fulvene double bond photoisomerization: The role of intramolecular vibrational energy redistribution and excitation energy

  400. S. Bhattacharya, A. N. Panda and H.−D. Meyer
    J. Chem. Phys. 135 (2011), 194302
    Cross sections and rate constants for OH+H2 reaction on three different potential energy surfaces for ro−vibrational excited reagents

  401. V. G. Bezchastnov, V. P. Vysotskiy and L. S. Cederbaum
    Phys. Rev. Lett. 107 (2011), 133401
    Anions of xenon clusters bound by long−range correlations

  402. A. Bande, K. Gokhberg and L. S. Cederbaum
    J. Chem. Phys. 135 (2011), 144112
    Dynamics of interatomic Coulombic decay in quantum dots

  403. I. Baldea and H. Köppel
    Phys. Rev. B 84 (2011), 037305
    Reply to "Comment on 'Critical analysis of a variational method used to describe molecular electron transport'"

  404. V. Averbukh, Ph. V. Demekhin, P. Kolorenc, S. Scheit, S. D. Stoychev, A. I. Kuleff, N. Sisourat and L. S. Cederbaum
    J. Electron Spectrosc. 183 (2011), 36
    Interatomic electronic decay processes in singly and multiply ionized clusters

  405. R. Xu, G. Klatt, H. Wadepohl and H. Köppel
    Inorg. Chem. 49 (2010), 3289
    Hydrogen scrambling in [(C5R5)(L)M(H)(C2H4)]+ (M=Co, Rh). Relation of experimental kinetic data to the barriers of the elementary reaction steps

  406. V. P. Vysotskiy and L. S. Cederbaum
    J. Chem. Phys. 132 (2010), 044110
    On the Cholesky decomposition for electron propagator methods: General aspects and application on C60

  407. O. Vendrell, S. D. Stoychev and L. S. Cederbaum
    ChemPhysChem 11 (2010), 1006
    Generation of highly damaging H2O+ radicals by inner valence shell ionization of water

  408. M. C. Tsatsos, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. A 82 (2010), 033613
    Fragmented many−body states of definite angular momentum and stability of attractive three−dimensional condensates

  409. M. Tashiro, M. Ehara, H. Fukuzawa, K. Ueda, Ch. Buth, N. V. Kryzhevoi and L. S. Cederbaum
    J. Chem. Phys. 132 (2010), 184302
    Molecular double core hole electron spectroscopy for chemical analysis

  410. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. A 81 (2010), 022124
    General mapping for bosonic and fermionic operators in Fock space

  411. S. D. Stoychev, A. I. Kuleff and L. S. Cederbaum
    J. Chem. Phys. 133 (2010), 154307
    On the intermolecular Coulombic decay of singly and doubly ionized states of water dimer

  412. T. Sommerfeld, B. Bhattarai, V. P. Vysotkiy and L. S. Cederbaum
    J. Chem. Phys. 133 (2010), 114301
    Correlation−bound anions of NaCl Clusters

  413. N. Sisourat, N. V. Kryzhevoi, P. Kolorenc, S. Scheit, T. Jahnke and L. S. Cederbaum
    Nature Physics 6 (2010), 508
    Ultralong−range energy transfer by interatomic Coulombic decay in an extreme quantum system

  414. N. Sisourat, H. Sann, N. V. Kryzhevoi, P. Kolorenc, T. Havermeier, F. Sturm, T. Jahnke, H.−K. Kim, R. Dörner and L. S. Cederbaum
    Phys. Rev. Lett. 105 (2010), 173401
    Interatomic electronic decay driven by nuclear motion

  415. N. Sisourat, N. V. Kryzhevoi, P. Kolorenc, S. Scheidt and L. S. Cederbaum
    Phys. Rev. A 82 (2010), 053401
    Impact of nuclear dynamics on interatomic Coulombic decay in He dimer

  416. J. Schirmer
    Phys. Rev. A 82 (2010), 052510
    Modifying the variational principle in the action−integral−functional derivation of time−dependent density−functional theory

  417. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. A 82 (2010), 013620
    Quantum dynamics of attractive versus repulsive Josephson junctions: Bose−Hubbard and full−Hamiltonian results

  418. M. Pernpointner
    J. Phys. B 43 (2010), 205102
    The four−component two−particle propagator for the calculation of double ionization spectra of heavy−element compounds: I. Method

  419. S. A. Ndengue, F. Gatti, R. Schinke, H.−D. Meyer and R. Jost
    J. Phys. Chem. A 114 (2010), 9855
    Absorption cross section of ozone Isotopologues calculated with the multiconfiguration time−dependent Hartree (MCTDH) method: I. The Hartley and Huggins bands

  420. S. Mark, A. Kurek, R. Mülhaupt, R. Xu, G. Klatt, H. Köppel and M. Enders
    Angew. Chem. Int. Ed. 49 (2010), 8751
    Hydridoboranes as modifiers for single−site organochromium catalysts: from low− to ultrahigh−molecular−weight polyethylene

  421. A. U. J. Lode, A. I. Streltsov, O. E. Alon, H.−D. Meyer and L. S. Cederbaum
    J. Phys. B 43 (2010), 029802
    Corrigendum: Exact decay and tunnelling dynamics of interacting few−boson systems

  422. B. Lasorne, M. A. Robb, H.−D. Meyer and F. Gatti
    Chem. Phys. 377 (2010), 30
    The electronic excited states of ethylene with large−amplitude deformations: A dynamical symmetry group investigation

  423. A. I. Kuleff, S. Lünnemann and L. S. Cederbaum
    J. Phys. Chem. A. 114 (2010), 8676
    Ultrafast charge migration following valence ionization of 4−Methylphenol: Jumping over the aromatic ring

  424. A. I. Kuleff, K. Gokhberg, S. Kopelke and L. S. Cederbaum
    Phys. Rev. Lett. 105 (2010), 043004
    Ultrafast interatomic electronic decay in multiply excited clusters

  425. C. M. Krauter, A. S. K. Hashmi and M. Pernpointner
    ChemCatChem. 2 (2010), 1226
    New insight into gold(I)−catalyzed hydration of alkynes: proton transfer

  426. P. Kolorenc, N. V. Kryzhevoi, N. Sisourat and L. S. Cederbaum
    Phys. Rev. A 82 (2010), 013422
    Interatomic Coulombic decay in a He dimer: Ab initio potential energy curves and decay widths

  427. E. V. Gromov, A. B. Trofimov, F. Gatti and H. Köppel
    J. Chem. Phys. 133 (2010), 164309
    Theoretical study of photoinduced ring−opening in furan

  428. S. Gómez−Carrasco, T. Müller and H. Köppel
    J. Phys. Chem. A 114 (2010), 11436
    Ab initio study of the VUV−induced multistate photodynamics of formaldehyde

  429. K. Gokhberg and L. S. Cederbaum
    Phys. Rev. A 82 (2010), 052707
    Interatomic Coulombic electron capture

  430. K. Gokhberg, S. Kopelke, N. V. Kryzhevoi, P. Kolorenc and L. S. Cederbaum
    Phys. Rev. A 81 (2010), 013417
    Dependence of interatomic decay widths on the symmetry of the decaying state: Analytical expressions and ab initio results

  431. E. Gindensperger, H. Köppel and C. Daniel
    Chem. Commun. 46 (2010), 8225
    Mechanism of visible−light photoisomerization of a rhenium(I) carbonyl−diimine complex

  432. V. Feyer, O. Plekan, R. Richter, M. Coreno, M. de Simone, K. C. Prince, A. B. Trofimov, I. L. Zaytseva and J. Schirmer
    J. Phys. Chem. A 114 (2010), 10270
    Tautomerism in cytosine and uracil: A theoretical and experimental X−ray absorption and resonant Auger study

  433. E. Faßhauer, N. V. Kryzhevoi and M. Pernpointner
    J. Chem. Phys. 133 (2010), 014303
    Possible electronic decay channels in the ionization spectra of small clusters composed of Ar and Xe: A four−component relativistic treatment

  434. M. Eroms, M. Jungen and H.−D. Meyer
    J. Phys. Chem. A 114 (2010), 9893
    Nonadiabatic Nuclear Dynamics after Valence Ionization of H2O

  435. A. D. Dutoi, L. S. Cederbaum, M. Wormit, J. H. Starcke and A. Dreuw
    J. Chem. Phys. 132 (2010), 144302
    Tracing molecular electronic excitation dynamics in real time and space

  436. Y.−C. Chiang, P. V. Demekhin, A. I. Kuleff, S. Scheit and L. S. Cederbaum
    Phys. Rev. A 81 (2010), 032511
    Linewidth and lifetime of atomic levels and the time evolution of spectra and coincidence spectra

  437. M. Brill, O. Vendrell and H.−D. Meyer
    in: High Performance Computing in Science and Engineering 09, ed. W. E. Nagel and D. B. Kröner and M. Resch, Springer, Heidelberg (2010)
    Distributed Memory Parallelisation of the Multi−Configuration Time−Dependent Hartree Method

  438. S. Bhattacharya, A. N. Panda and H.−D. Meyer
    J. Chem. Phys. 132 (2010), 214304
    Multiconfiguration time−dependent Hartree approach to study the OH+H2 reaction

  439. V. G. Bezchastnov, M. Pernpointner, P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 81 (2010), 062507
    Nonadditivity and anisotropy of the polarizability of clusters: Relativistic finite−field calculations for the Xe dimer

  440. I. Baldea, H. Köppel and L. S. Cederbaum
    Phys. Stat. Solidi C7 11-12 (2010), 2671
    Characterization of assembled quantum dots and single−electron transistors by photoemission and photoabsorption

  441. I. Baldea and L. S. Cederbaum
    in: Handbook of Nanophysics (Nanotubes and Nanowires), ed. K. Sattler, Taylor and Francis, Boca Raton (2010)
    Quantum−dot nanorings

  442. I. Bâldea and H. Köppel
    Phys. Rev. B 81 (2010), 193401
    Sources of negative differential resistance in electric nanotransport

  443. I. Baldea
    Chem. Phys. 377 (2010), 15
    Revealing molecular orbital gating by transition voltage spectroscopy

  444. I. Bâldea and H. Köppel
    Phys. Rev. B 81 (2010), 125322
    Single−electron transistors studied by microwave and far−infrared absorption: Theoretical results and experimental proposal

  445. I. Bâldea and H. Köppel
    Phys. Rev. B 82 (2010), 087302
    Reply to ''Comment on 'Electron transport through correlated molecules computed using the time−independent Wigner function: two critical tests' ''

  446. I. Bâldea, H. Köppel, R. Maul and W. Wenzel
    J. Chem. Phys. 133 (2010), 014108
    Applying the extended molecule approach to correlated electron transport: Important insight from model calculations

  447. A. I. Kuleff, S. Lünnemann and L. S. Cederbaum
    in: Ultrafast Phenomena XVI, ed. P. Corkum and S. De Silvestri and K. Nelson and E. Riedle and R. W. Schoenlein, Springer, (2009)
    Ultrafast charge migration following ionization in oligopeptides

  448. I. L. Zaytseva, A. B. Trofimov, J. Schirmer, O. Plekan, V. Feyer, R. Richter, M. Coreno and K. C. Prince
    J. Phys. Chem. A 113 (2009), 15142
    Theoretical and experimental study of valence−shell ionization spectra of guanine

  449. Y. Sajeev, V. Vysotskiy, L. S. Cederbaum and N. Moiseyev
    J. Chem. Phys. 131 (2009), 211102
    Continuum remover−complex absorbing potential: Efficient removal of the nonphysical stabilization points

  450. G. A. Worth, H. Köppel, E. Gindensperger and L. S. Cederbaum
    in: Multidimensional Quantum Dynamics: MCTDH Theory and Applications, ed. H.-D. Meyer and F. Gatti and G. A. Worth, Wiley−VCH, Weinheim (2009)
    Multidimensional non−adiabatic dynamics

  451. S. Woittequand, C. Toubin, M. Monerville, S. Briquez, B. Pouilly and H.−D. Meyer
    J. Chem. Phys. 131 (2009), 194303
    Multiconfiguration time−dependent Hartree and classical dynamics studies of the photodissociation of HF and HCL molecules adsorbed on ice: Extension to three dimensions

  452. S. Woittequand, D. Duflot, M. Monnerville, B. Pouilly, C. Toubin, S. Briquez and H.−D. Meyer
    J. Chem. Phys 131 (2009), 049905
    Erratum: ``Classical and quantum studies of the photodissociation of a HX (X = Cl, F) molecule adsorbed on ice'' [J. Chem. Phys. 127, 164717 (2007)]

  453. D. B. Werz, G. Klatt, J. A. Raskatov, H. Köppel and R. Gleiter
    Organometallics 28 (2009), 1675−1682
    CpCo−Mediated Reactions of Cyclopropenones: A DFT Study

  454. C. Wang, P. G. Kevrekidis, N. Whitaker, D. J. Frantzeskakis, S. Middelkamp and P. Schmelcher
    Physica D 238 (2009), 1362−1371
    Bose−Einstein Condensates in Collisionally Inhomogeneous Double Well Potentials

  455. C. Wang, P. G. Kevrekidis, N. Whitaker, T. J. Alexander, E. A. Ostrovskaya, Yu. S. Kivshar, D. Frantzeskakis and P. Schmelcher
    J. Phys. A 42 (2009), 035201
    Spinor Condensates in Double Well Potentials

  456. O. Vendrell, F. Gatti and H.−D. Meyer
    Angew. Chem. Int. Ed. 48 (2009), 352
    Strong Isotope Effects in the Infrared Spectrum of the Zundel Cation

  457. O. Vendrell, M. Brill, F. Gatti, D. Lauvergnat and H.−D. Meyer
    J. Chem. Phys. 130 (2009), 234305
    Full dimensional (15D) quantum−dynamical simulation of the protonated water dimer III: mixed Jacobi−valence parametrization and benchmark results for the zero−point energy, vibrationally excited states and infrared spectrum

  458. O. Vendrell, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 131 (2009), 034308
    Full dimensional (15D) quantum−dynamical simulation of the protonated water dimer IV: Isotope effects in the infrared spectra of D(D2O)2+, H(D2O)2+ and D(H2O)2+ isotopologues

  459. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    J. Phys. B 42 (2009), 091004
    Efficient generation and properties of mesoscopic quantum superposition states in an attractive Bose−Einstein condensate threaded by a potential barrier

  460. J. Seibt, T. Winkler, K. Renziehausen, V. Dehm, F. Würthner, H.−D. Meyer and V. Engel
    J. Phys. Chem. 113 (2009), 13475
    Vibronic transitions and quantum dynamics in molecular oligomers: A theoretical analysis with an application to aggregates of perylene bisimides

  461. J. Schirmer and F. Mertins
    Theor. Chem. Acc. 125 (2009), 145
    Review of biorthogonal coupled cluster representations for electronic excitation

  462. R. Santra, N. V. Kryzhevoi and L. S. Cederbaum
    Phys. Rev. Lett. 103 (2009), 013002
    X−Ray two−photon photoelectron spectroscopy: A theoretical study of inner−shell spectra of the organic para−aminophenol molecule

  463. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. Lett. 103 (2009), 2206011
    Exact quantum dynamics of a Bosonic Josephson Junction

  464. W. Pokapanich, H. Bergersen, I. L. Bradeanu, R. R. T. Marinho, A. Lindblad, S. Legendre, A. Rosso, S. Svensson, O. Björneholm, M. Tchaplyguine, G.Öhrwall, N. V. Kryzhevoi and L. S. Cederbaum
    J. Am. Chem. Soc. 131 (2009), 7264
    Auger electron spectroscopy as a probe of the solution of aqueous ions

  465. O. Plekan, V. Feyer, R. Richter, M. Coreno, G. Vall−Illosera, K. C. Prince, A. B. Trofimov nd I. L. Zaytseva, T. E. Moskovskaya, E. V. Gromov and J. Schirmer
    J. Phys. Chem. A 113 (2009), 9376
    An experimental and theoretical core−level study of tautomerism in guanine

  466. M. Pernpointner and A. S. K. Hashmi
    J. Chem. Theory Comput. 5 (2009), 2717
    A fully relativistic, comparative investigation of gold and platinum alkyne complexes of relevance for the catalysis of nucleophilic additions to alkynes

  467. M. Pernpointner, T. Rapps and L. S. Cederbaum
    J. Chem. Phys. 131 (2009), 044322
    Jahn−Teller distortions in the photodetachment spectrum of PtCl : A four−component relativistic study

  468. F. Otto, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 131 (2009), 049901
    Erratum: ``Rotational excitations in para−H2 + para−H2 collisions: Full− and reduced−dimensional quantum wave packet studies comparing different potential energy surfaces''

  469. P. Ottiger, S. Leutwyler and H. Köppel
    J. Chem. Phys. 131 (2009), 204308
    S1/S2 excitonic splittings and vibronic coupling in the excited state of the jet−cooled 2−aminopyridine dimer

  470. B. S. Monozon and P. Schmelcher
    Phys. Rev. B 79 (2009), 165314
    Resonant Franz−Keldysh Exciton Effect in a Narrow Biased Quantum Wire in the Presence of Strong Magnetic Fields

  471. H.−D. Meyer, F. Gatti and G. A. Worth, eds.
    Multidimensional Quantum Dynamics: MCTDH Theory and Applications,
    Wiley−VCH, Weinheim (2009)

  472. M. Mayle, I. Lesanovsky and P. Schmelcher
    Phys. Rev. A (R) 79 (2009), 041403
    Mapping the Composite Character of Magnetically Trapped Rydberg Atoms

  473. S. Lünnemann, A. I. Kuleff and L. S. Cederbaum
    J. Chem. Phys. 130 (2009), 154305
    Ultrafast electron dynamics following outer−valence ionization: The impact of low−lying relaxation satellite states

  474. A. U. J. Lode, A. I. Streltsov, O. E. Alon, H.−D. Meyer and L. S. Cederbaum
    J. Phys. B 42 (2009), 044018
    Exact decay and tunneling dynamics of interacting few boson systems

  475. A. I. Kuleff and A. Dreuw
    J. Chem. Phys. 130 (2009), 034102
    Theoretical description of charge migration with a single Slater−determinant and beyond

  476. N. V. Kryzhevoi and L. S. Cederbaum
    J. Chem. Phys. 130 (2009), 084302
    Core ionization of Na+ microsolvated in water and ammonia

  477. K. Kreidi, P. V. Demekhin, T. Jahnke, T. Weber, T. Havermeier, X.−J. Liu, Y. Morisita, S. Schössler, L. P. H. Schmidt, M. Schöffler, M. Odenweller, N. Neumann, L. Foucar, J. Titze, B. Ulrich, F. Sturm, C. Stuck, R. Wallauer, S. Voss, I. Lauter, H. K. Kim, M. Rudloff, H. Fukuzawa, G. Prümper, N. Saito, K. Ueada, A. Czasch, O. Jagutzki, H. Schmidt−Böcking, S. Scheit, L. S. Cederbaum and R. Dörner
    Phys. Rev. Lett. 103 (2009), 033001
    Photo− and Auger−electron recoil induced dynamics of interatomic Coulombic decay

  478. H. Köppel, H. Barentzen and D. R. Yarkony, eds.
    The Jahn−Teller Effect: Fundamentals and Applications in Physics and Chemistry, Springer Series in Chemical Physics 97
    Springer, Heidelberg (2009)

  479. S. Kopelke, K. Gokhberg, L. S. Cederbaum and V. Averbukh
    J. Chem. Phys. 130 (2009), 144103
    Calculation of resonant interatomic Coulombic decay widths of inner−valence−excited states delocalized due to inversion symmetry

  480. R. Gonzalez−Ferez and P. Schmelcher
    New J. Phys. 11 (2009), 055013
    Impact of Electric Fields on Highly Excited Rovibrational States of Polar Dimers

  481. K. Gokhberg and L. S. Cederbaum
    J. Phys. B 42 (2009), 231001
    Environment assisted electron capture

  482. K. Gokhberg, V. Vysotskiy, L. S. Cederbaum, L. Storchi, F. Tarantelli and V. Averbukh
    J. Chem. Phys. 130 (2009), 064104
    Molecular photoionization cross sections by Stieltjes−Chebyshev moment theory applied to Lanczos pseudospectra

  483. V. Feyer, O. Plekan, R. Richter, M. Coreno, G. Vall−Illosera, K. C. Prince, A. B. Trofimov, I. L. Zaytseva, T. E. Moskovskaya, E. V. Gromov and J. Schirmer
    J. Phys. Chem. A 113 (2009), 5736
    Tautomerism in Cytosin and Uracil: An experimental and theoretical core level spectroscopic study

  484. S. Faraji, E. Gindensperger and H. Köppel
    Springer Series in Chemical Physics 97 (2009), 239−276
    Multi−mode Jahn−Teller and pseudo Jahn−Teller effects in benzenoid cations

  485. M. Eroms, O. Vendrell, M. Jungen, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys 130 (2009), 154307
    Nuclear dynamics during the resonant Auger decay of water molecules

  486. M. Eckart, R. Walser, W. P. Schleich, S. Zöllner and P. Schmelcher
    New J. Phys. 11 (2009), 023010
    The granularity of weakly occupied bosonic fields beyond the local density approximation

  487. Ph. V. Demekhin, S. Scheit and L. S. Cederbaum
    J. Chem. Phys. 131 (2009), 164301
    Recoil by Auger electrons: Theory and application

  488. Ph. V. Demekhin, Y.−C. Chiang, S. D. Stoychev, P. Kolorenc, S. Scheit, A. I. Kuleff, F. Tarantelli and L. S. Cederbaum
    J. Chem. Phys. 131 (2009), 104303
    Interatomic Coulombic decay and its dynamics in NeAr following K−LL Auger transition in the Ne atom

  489. L. S. Cederbaum and M. Basler
    Phys. Rev. Lett. 103 (2009), 133001
    Exploring nonadiabatic effects by recoil of fast photoelectrons

  490. M. Brill, O. Vendrell and H.−D. Meyer
    in: Advances in the Theory of Atomic and Molecular Systems, ed. P. Piecuch and J. Maruani and G. Delgado-Barrio and S: Wilson, Springer Verlag, (2009)
    Shared memory parallelization of the multiconfiguration time−dependent Hartree method and application to the dynamics and spectroscopy of the protonated water dimer

  491. I. Baldea, L. S. Cederbaum and J. Schirmer
    Eur. Phys. J. B 69 (2009), 251
    Intriguing electron correlation effects in the photoionization of metallic quantum−dot nanorings

  492. I. Baldea and H. Köppel
    Phys. Rev. B 79 (2009), 165317
    Studying the Single−Electron Transistor by Photoionization

  493. I. Baldea and H. Köppel
    Phys. Rev. B 80 (2009), 165301
    Critical analysis of a variational method used to describe molecular electronic transport

  494. T. Amthor, J. Denskat, C. Giese, N. N. Bezuglov, A. Ekers, L. S. Cederbaum and M. Weidemüller
    Eur. Phys. J. D 53 (2009), 329
    Autoionization of an ultracold Rydberg gas through resonant dipole coupling

  495. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    in: Multidimensional Quantum Dynamics: MCTDH Theory and Applications, ed. H.-D. Meyer and F. Gatti and G. A. Worth, Wiley−VCH, Weinheim (2009)
    The multiconfigurational time−dependent Hartree method for identical particles and mixtures thereof

  496. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    Phys. Lett. A 373 (2009), 301
    Build−up of coherence between initially−independent subsystems: The case of Bose−Einstein condensates

  497. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    Phys. Rev. A 79 (2009), 022503
    Many−body theory for systems with particle conversion: Extending the multiconfigurational time−dependent Hartree method

  498. S. Zöllner, H.−D. Meyer and P. Schmelcher
    Phys. Rev. Lett. 100 (2008), 040401
    Few−Boson Dynamics in Double Wells: From Single−Atom to Correlated Pair Tunneling

  499. S. Zöllner, H.−D. Meyer and P. Schmelcher
    Phys. Rev. A 78 (2008), 013629
    Composite fermionization of one−dimensional Bose−Bose mixtures

  500. S. Zöllner, H.−D. Meyer and P. Schmelcher
    Phys. Rev. A 78 (2008), 013621
    Tunneling dynamics of a few bosons in a double well

  501. R. Xu, M. Bittner, G. Klatt and H. Köppel
    J. Phys. Chem. A 112 (2008), 13139−13148
    Influence of Ligands on the Dynamics of Hydrogen Elimination in Cationic Complexes of Co and Rh

  502. G. A. Worth, H.−D. Meyer, H. Köppel and L. S. Cederbaum
    Int. Rev. in Phys. Chem. 27 (2008), 569
    Using the MCTDH wavepacket propagation method to describe multimode non−adiabatic dynamics

  503. O. Vendrell and H.−D. Meyer
    Phys. Chem. Chem. Phys 10 (2008), 4692
    A proton between two waters: insight from full−dimensional quantum−dynamics simulations of the [H2O−H−OH2]+ cluster

  504. E. Tempfli, S. Zöllner and P. Schmelcher
    New J. Phys. 10 (2008), 103021
    Excitations of attractive 1D bosons: binding versus fermionization

  505. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. Lett. 100 (2008), 130401
    Formation and dynamics of many−boson fragmented states in one−dimensional attractive ultracold gases

  506. S. D. Stoychev, A. I. Kuleff, F. Tarantelli and L. S. Cederbaum
    J. Chem. Phys. 129 (2008), 074307
    On the interatomic electronic processes following Auger decay in neon Dimer

  507. S. D. Stoychev, A. I. Kuleff and L. S. Cederbaum
    J. Chem. Phys. 128 (2008), 014307
    On the doubly ionized states of Ar2 and their intra− and interatomic decay to Ar23+

  508. J. Schirmer and A. Dreuw
    Phys. Rev. A 78 (2008), 056502 1−4
    Reply to "Comment on 'Critique of the foundations of time−dependent density−functional theory'"

  509. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. A. 78 (2008), 023615
    Reduced density matrices and coherence of trapped interacting bosons

  510. S. Saeidian, V. S. Melezhik and P. Schmelcher
    Phys. Rev. A 77 (2008), 042721
    Multi−Channel Atomic Scattering and Confinement−Induced Resonances in Waveguides

  511. A. S. Rodrigues, P. G. Kevrekidis, M. A. Porter, D. J. Frantzeskakis, P. Schmelcher and A. R. Bishop
    Phys. Rev. A 78 (2008), 013611
    Matter Wave Solitons of Condensates with Piecewise Constant Scattering Lengths

  512. O. Plekan, V. Feyer, R. Richter, M. Coreno, M. de Simone, K. C. Prince, A. B. Trofimov, E. V. Gromov, I. L. Zaytseva and J. Schirmer
    Chem. Phys. 347 (2008), 360−375
    A theoretical and experimental study of the near edge X−ray absorption fine structure (NEXAFS) and X−ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine

  513. M. Pernpointner, T. Rapps and L. S. Cederbaum
    J. Chem. Phys. 129 (2008), 174302
    Photodetachment spectra of the PtX42−, (X=F, Cl, Br) dianions and their Jahn−Teller distortions: a fully relativistic study.

  514. M. Pernpointner, N. V. Kryzhevoi and S. Urbaczek
    J. Chem. Phys. 129 (2008), 024304
    Possible electronic decay channels in the ionization spectra of small clusters composed of Ar and Kr: A four−component relativistic treatment.

  515. G. Pasin, C. Iung, F. Gatti, F. Richter, C. Leonard and H.−D. Meyer
    J. Chem. Phys. 129 (2008), 144304
    Theoretical investigation of intramolecular vibrational energy redistribution in HFCO and DFCO induced by an external field

  516. Frank Otto, Fabien Gatti and Hans−Dieter Meyer
    J. Chem. Phys. 128 (2008), 064305
    Rotational excitations in para−H2+para−H2 collisions: Full− and reduced−dimensional quantum wave packet studies comparing different potential energy surfaces

  517. N. Moiseyev, M. Sindelka and L. S. Cederbaum
    J. Phys. B 41 (2008), 221001
    Laser−induced conical intersections in molecular optical lattices

  518. S. Middelkamp, I. Lesanovsky and P. Schmelcher
    Europhys. Lett. 84 (2008), 40011
    Interaction−Induced Trapping of Magnetically Insensitive Bose−Einstein Condensates

  519. S. Middelkamp, P. G. Kevrekidis, D. J. Frantzeskakis and P. Schmelcher
    Phys. Lett. A 373 (2008), 262
    Matter−Wave Solitons in the Presence of Collisional Inhomogeneities: Perturbation Theory and the Impact of Derivative Terms

  520. S. Lünnemann, A. I. Kuleff and L. S. Cederbaum
    Chem. Phys. Lett. 450 (2008), 232
    Ultrafast charge migration in 2−phenylethyl−N,N−dimethylamine

  521. S. Lünnemann, A. I. Kuleff and L. S. Cederbaum
    J. Chem. Phys. 129 (2008), 104305
    Charge migration following ionization in systems with chromophore−donor and amine−acceptor sites

  522. F. Lenz, F. K. Diakonos and P. Schmelcher
    Phys. Rev. Lett. 100 (2008), 014103
    Tunable Fermi Acceleration in the Driven Elliptical Billiard

  523. H. Köppel, B. Schubert and H. Lischka
    Chem. Phys. 343 (2008), 319
    Conical intersections and strong nonadiabatic coupling effects in singlet−excited acetylene: An ab initio quantum dynamical study

  524. P. Kolorenc, V. Averbukh, K. Gokhberg and L. S. Cederbaum
    J. Chem. Phys. 129 (2008), 244102
    Ab initio calculation of interatomic decay rates of excited doubly ionized states in clusters

  525. F. Koch, F. Lenz, F. K. Diakonos, C. Petri and P. Schmelcher
    Phys. Rev. E 78 (2008), 056204
    Dynamical Trapping and Chaotic Scattering in the Harmonically Driven Barrier

  526. S. Klaiman and L. S. Cederbaum
    Phys. Rev. A 78 (2008), 062113
    Non−Hermitian Hamiltonians with space−time symmetry

  527. A. K. Karlis, F. K. Diakonos, V. Constantoudis and P. Schmelcher
    Phys. Rev. E 78 (2008), 046213
    Rare Events and Their Impact on Velocity Diffusion in the Fermi−Ulam Model

  528. D. M. P. Holland, A. W. Potts, L. Karlsson, I. L. Zaytseva, A. B. Trofimov and J. Schirmer
    Chem. Phys. 353 (2008), 47−58
    A study of the valence shell electronic structure of uracil and the methyluracils

  529. D. M. P. Holland, A. W. Potts, L. Karlsson, I. L. Zaytseva, A. B. Trofimov and J. Schirmer
    Chem. Phys. 352 (2008), 205−216
    A study of the valence shell electronic structure of the 5−halouracils

  530. M. de Groot, E. Gromov, H. Köppel and W. J. Buma
    J. Phys. Chem. B 112 (2008), 4427
    High−Resolution Spectroscopy of Methyl 4−Hydroxycinnamate and its Hydrogen−Bonded Water Complex

  531. R. Gonzalez−Ferez, M. Mayle, P. Sanchez−Moreno and P. Schmelcher
    Europhys. Lett. 83 (2008), 43001
    Comparative Study of the Rovibrational Dynamics of Heteronuclear Alkali Dimers in Electric Fields

  532. S. Gomez−Carrasco and H. Köppel
    Chem. Phys. 346 (2008), 81
    Ab initio study of the Renner−Teller effect in the X2Π electronic state of the OHF anion

  533. R. Golser, H. Gnaser, M. Pernpointner, O. Forstner, W. Kutschera, A. Priller, P. Steier and A. Wallner
    Phys. Rev. A 77 (2008), 053203
    The SiF62− dianion: Identification by accelerator mass spectrometry and a fully relativistic computation of its photodetachment spectrum.

  534. S. Faraji, H. Köppel, W Eisfeld and S. Mahapatra
    Chem. Phys. 347 (2008), 110
    Towards a higher−order description of Jahn−Teller coupling effects in molecular spectroscopy: The A2 E state of NO3

  535. S. Faraji, H.−D. Meyer and H. Köppel
    J. Chem. Phys. 129 (2008), 074311
    Multistate vibronic interactions in difluorobenzene radical cations. II Quantum dynamical simulations.

  536. S. Faraji and H. Köppel
    J. Chem. Phys. 129 (2008), 074310
    Multistate vibronic interactions in difluorobenzene radical cations. I Electronic structure calculations.

  537. L. J. Doriol, F. Gatti, C. Iung and H.−D. Meyer
    J. Chem. Phys. 129 (2008), 224109
    Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time−dependent Hartree method

  538. Ph. V. Demekhin, S. Scheit, S. D. Stoychev and L. S. Cederbaum
    Phys. Rev. A 78 (2008), 043421
    Dynamics of interatomic Coulombic decay in Ne dimer following the K−L1L2,3(1P) Auger transition in the Ne atom

  539. L. S. Cederbaum
    J. Chem. Phys. 128 (2008), 124101
    Born−Oppenheimer approximation and beyond for time−dependent electronic processes

  540. L. S. Cederbaum, A. I. Streltsov and O. E. Alon
    Phys. Rev. Lett. 100 (2008), 040402
    Fragmented metastable states exist in an attractive Bose−Einstein condensate for atom numbers well above the critical number of the Gross−Pitaevskii theory

  541. D. Buchholz, P. Drouvelis and P. Schmelcher
    Europhys. Lett. 81 (2008), 37001
    Tunable Transmission via Quantum State Evolution in Oval Quantum Dots

  542. B. Brüggemann, P. Person, H.−D. Meyer and V. May
    Chem. Phys. 347 (2008), 152
    Frequency dispersed transient absorption spectra of dissolved perylene: A case study using the density matrix version of the MCTDH method

  543. M. Brill, O. Vendrell, F. Gatti and H.−D. Meyer
    in: High Performance Computing in Science and Engineering 07, ed. W. E. Nagel and D. B. Kröner and M. Resch, Springer, Heidelberg (2008)
    Shared Memory Parallelisation of the Multi−Configuration Time−Dependent Hartree Method and Application to the Dynamics and Spectroscopy of the Protonated Water−Dimer

  544. J. M. Bowman, T. Carrington Jr. and H.−D. Meyer
    Mol. Phys. 106 (2008), 2145
    Variational quantum approaches for computing vibrational energies of polyatomic molecules

  545. M. Basler, E. Gindensperger, H.−D. Meyer and L. S. Cederbaum
    Chem. Phys. 347 (2008), 78
    Quantum dynamics through conical intersections in macrosystems: Combining effective modes and time−dependent Hartree

  546. I. Baldea and L. S. Cederbaum
    in: Frontiers in Quantum Systems in Chemistry and Physics, ed. S. Wilson and P. J. Grout and G. Delgado-Barrio and J. Maruani and P. Piecuch, Springer, (2008)
    Unusual features in optical absorption and photo−ionisation of quantum dot nano−rings

  547. I. Baldea and L. S. Cederbaum
    Phys. Rev. B 77 (2008), 165339
    Unusual scarcity in the optical absorption of metallic quantum−dot nanorings described by the extended Hubbard model

  548. I. Baldea and H. Köppel
    Phys. Rev. B 78 (2008), 115315
    Electron transport through correlated molecules computed using the time−independent Wigner function: Two critical tests

  549. S. Amaran, S. Kumar and H. Köppel
    J. Chem. Phys. 128 (2008), 124305
    Ab initio potential energy surfaces and nonadiabatic interactions in the H+ + NO collision system

  550. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    Phys. Rev. A 77 (2008), 033613
    Multiconfigurational time−dependent Hartree method for bosons: Many−body dynamics of Bosonic systems

  551. S. Zöllner, H.−D. Meyer and P. Schmelcher
    Phys. Rev. A 75 (2007), 043608
    Excitations of few−boson systems in one−dimensional harmonic and double wells

  552. S. Woittequand, D. Duflot, M. Monnerville, B. Pouilly, C. Toubin, S. Briquez and H.−D. Meyer
    J. Chem. Phys. 127 (2007), 164717
    Classical and quantum studies of the photodissociation of a HX (X=Cl,F) molecule adsorbed on ice

  553. T. S. Venkatesan, S. Mahapatra, H.−D. Meyer, H. Köppel and L. S. Cederbaum
    J. Phys. Chem. A 111 (2007), 1746
    Multimode Jahn−Teller and Pseudo−Jahn−Teller in the cyclopropane radical cation: Complex vibronic spectra and nonradiative decay dynamics

  554. T. S. Venkatesan, S. Mahapatra, H. Köppel and L. S. Cederbaum
    J. Mol. Struct. 838 (2007), 100
    On the Jahn−Teller and pseudo−Jahn−Teller effects in the photoelectron spectrum of cyclopropane

  555. O. Vendrell, F. Gatti and H.−D. Meyer
    Angew. Chem. Int. Ed. 46 (2007), 6918−6921
    Dynamics and Infrared Spectroscopy of the Protonated Water Dimer

  556. O. Vendrell, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 127 (2007), 184303
    Full dimensional (15D) quantum−dynamical simulation of the protonated water dimer II: Infrared spectrum and vibrational dynamics

  557. O. Vendrell, F. Gatti, D. Lauvergnat and H.−D. Meyer
    J. Chem. Phys. 127 (2007), 184302
    Full dimensional (15D) quantum−dynamical simulation of the protonated water dimer I: Hamiltonian setup and analysis of the ground vibrational state

  558. N. Vaval and L. S. Cederbaum
    J. Chem. Phys. 126 (2007), 164110
    Ab initio lifetimes in the interatomic Coulombic decay of neon clusters computed with propagators

  559. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. Lett 99 (2007), 030402
    Role of excited states in the splitting of a trapped interacting Bose−Einstein condensate by a time−dependent barrier

  560. U. Schmidt, I. Lesanovsky and P. Schmelcher
    J. Phys. B 40 (2007), 1003
    Ultracold Rydberg Atoms in a Magneto−Electric Trap

  561. J. Schirmer and A. Dreuw
    Phys. Rev. A 75 (2007), 022513
    Critique of the foundations of time−dependent density−functional theory

  562. P. Sanchez−Moreno, R. Gonzalez−Ferez and P. Schmelcher
    Phys. Rev. A 76 (2007), 053413
    Molecular Rotational Dynamics in Nonadiabatically Switching Homogeneous Electric Fields

  563. N. Saito, Y. Morishita, I. H. Suzuki, S. D. Stoychev, A. I. Kuleff, L. S. Cederbaum, X.−J. Liu, H. Fukuzawa, G. Prümper and K. Ueda
    Chem. Phys. Lett. 441 (2007), 16
    Evidence of radiative charge transfer in argon dimers

  564. S. Saeidian, I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 76 (2007), 023424
    Atomic Hyperfine Resonances in Magnetic Quadrupole Fields

  565. F. Richter, F. Gatti, C. Leonard, F. Le Quere and H−D. Meyer
    J. Chem. Phys. 127 (2007), 164315
    Time−dependent wave packet study on trans−cis isomerisation of HONO driven by an external field

  566. I. Powis, I. L. Zaytseva, A. B. Trofimov, J. Schirmer, D. M. P. Holland, A. W. Potts and L. Karlsson
    J. Phys. B 40 (2007), 2019
    A study of the valence shell electronic structure and photoionization dynamics of selenophene

  567. M. Pernpointner
    Chem. Phys. 338 (2007), 44
    A fully relativistic study of the Pt(CN)42− and Pt(CN)62− photodetachment spectra

  568. M. Pernpointner and L. S. Cederbaum
    J. Chem. Phys. 126 (2007), 144310
    PtF62− dianion and its detachment spectrum: A fully relativistic study

  569. G. Pasin, C. Iung, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 126 (2007), 24302
    Theoretical investigation of highly excited vibrational states in DFCO: Calculation of the out−of−plane bending states and simulation of the intramolecular vibrational energy redistribution

  570. A. N. Panda, F. Otto, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 127 (2007), 114310
    Rovibrational energy transfer in ortho−H2 + para−H2 collisions

  571. B. S. Monozon and P. Schmelcher
    Phys. Rev. B 75 (2007), 245207
    Multi−Photon Exciton Absorption in a Superlattice Exposed to dc Electric Fields

  572. N. Moiseyev, M. Sindelka and L. S. Cederbaum
    Phys. Lett. A 362 (2007), 215
    Trapping of cold atoms in optical lattices by the quadropole force

  573. S. Middelkamp, I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 76 (2007), 022507
    Spectral properties of a Rydberg atom immersed in a Bose−Einstein condensate

  574. V. S. Melezhik, J. Kim and P. Schmelcher
    Phys. Rev. A 76 (2007), 053611
    Wave Packet Dynamical Analysis of Ultracold Scattering in Cylindrical Waveguides

  575. M. Mayle, B. Hezel, I. Lesanovsky and P. Schmelcher
    Phys. Rev. Lett. 99 (2007), 113004
    One−Dimensional Rydberg Gas in a Magnetoelectric Trap

  576. M. Mayle, R. Gonzalez−Ferez and P. Schmelcher
    Phys. Rev. A 75 (2007), 013421
    Controlling Molecular Orientation through Radiative Rotational Transitions in Strong Static Electric Fields

  577. C. Matthies, S. Zöllner, H.−D. Meyer and P. Schmelcher
    Phys. Rev. A 76 (2007), 023602
    Quantum dynamics of two bosons in an anharmonic trap: Collective versus internal excitations

  578. S. Mahapatra, W. Eisfeld and H. Köppel
    Chem. Phys. Lett. 441 (2007), 7
    Effects of multimode Jahn−Teller coupling in the photodetachment spectrum of the nitrate anion (NO3)

  579. A. Lühr, O.−A. Al−Hujaj and P. Schmelcher
    Phys. Rev. A 75 (2007), 013403
    Resonances of the Helium Atom in a Strong Magnetic Field

  580. X.−J. Liu, N. Saito, H. Fukuzawa, Y. Morishita, S. Stoychev, A. Kuleff, I. H. Suzuki, Y. Tamenori, R. Richter, G. Prümper and K. Ueda
    J. Phys. B 40 (2007), F1
    Evidence of sequential interatomic decay in argon trimers obtained by electron?triple−ion coincidence spectroscopy

  581. F. Lenz, F. K. Diakonos and P. Schmelcher
    Europhys. Lett. 79 (2007), 20002
    Scattering Dynamics of Driven Closed Billiards

  582. F. Lenz, F. K. Diakonos and P. Schmelcher
    Phys. Rev. E 76 (2007), 066213
    Classical Dynamics of the Time−Dependent Elliptical Billiard

  583. A. I. Kuleff and L. S. Cederbaum
    Chem. Phys. 338 (2007), 320
    Charge migration in different conformers of glycine: The role of nuclear geometry

  584. A. I. Kuleff and L. S. Cederbaum
    Phys. Rev. Lett. 98 (2007), 083201
    Tracing ultrafast Interatomic electronic decay processes in real time and space

  585. N. V. Kryzhevoi, V. Averbukh and L. S. Cederbaum
    Phys. Rev. B 76 (2007), 094513
    High activity of helium droplets following ionization of systems inside those droplets

  586. G.−J. Kroes and H.−D. Meyer
    Chem. Phys. Lett. 440 (2007), 334
    Using n−mode potentials for reactive scattering: Application to 6D H2+Pt(111)

  587. J. I. Kim, V. S. Melezhik and P. Schmelcher
    Rep. Prog. Theo. Phys. 166 (2007), 159
    Quantum Confined Scattering Beyond the S−Wave Approximation

  588. B. Hezel, I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 76 (2007), 053417
    Ultracold Rydberg Atoms in a Ioffe−Pritchard Trap

  589. E. V. Gromov, I. Burghardt, H. Köppel and L. S. Cederbaum
    J. Am. Chem. Soc. 129 (2007), 6798
    Electronic structure of the PYP chromophore in its native protein environment

  590. E. V. Gromov, I. Burghardt, J. T. Hynes, H. Köppel and L. S. Cederbaum
    J. Photochem. Photobiol. A: Chem. 190 (2007), 241
    Electronic structure of the photoactive yellow protein chromophore: Ab initio study of the low−lying excited singlet states

  591. R. Gonzalez−Farez, M. Mayle and P. Schmelcher
    Europhys. Lett. 78 (2007), 53001
    Formation of Ultracold Heteronuclear Dimers in Electric Fields

  592. R. Gonzalez−Ferez, M. Weidemüller and P. Schmelcher
    Phys. Rev. A 76 (2007), 023402
    Photoassociation of Cold Heteronuclear Dimers in Static Electric Fields

  593. K. Gokhberg, V. Averbukh and L. S. Cederbaum
    J. Chem. Phys. 126 (2007), 154107
    Decay rates of inner−valence excitations in noble gas atoms

  594. K. Gokhberg, V. Averbukh, V. Vysotzskiy and L. S. Cederbaum
    in: Computation in modern science and engineering, ed. G. Maroulis and T. Simos, American Institute of Physikcs, (2007)
    Molecular photoionization cross−sections by application of Stieltjes imaging to Lanczos pseudospectra

  595. E. Gindensperger, I. Baldea, J. Franz and H. Köppel
    Chem. Phys. 338 (2007), 207
    Multi−state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms

  596. E. Gindensperger and L. S. Cederbaum
    J. Chem. Phys. 127 (2007), 124107
    Quantum dynamics in macrosystems with several coupled electronic states: Hierarchy of effective Hamiltonians

  597. E. Gindensperger, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 126 (2007), 034106
    Hierarchy of effective modes for the dynamics through conical intersections in macrosystems

  598. P. Drouvelis, G. Fagas and P. Schmelcher
    J. Phys. Cond. Mat. 19 (2007), 326209
    Magnetically Controlled Current Flow in Coupled−Dot Arrays

  599. L. S. Cederbaum, A. I. Streltsov, Y. B. Band and O. E. Alon
    Phys. Rev. Lett. 98 (2007), 110405
    Interferences in the density of two Bose−Einstein condensates consisting of identical or different atoms

  600. M. R. Brill, F. Gatti, D. Lauvergnat and H.−D. Meyer
    Chem. Phys. 338 (2007), 186−199
    Photoinduced nonadiabatic dynamics of ethene: Six dimensional wave packet propagations using two different approximations of the kinetic energy operator

  601. J. Breidbach and L. S. Cederbaum
    J. Chem. Phys. 126 (2007), 034101
    Migration of holes: Numerical algorithms and implemantation

  602. C. Bleiholder, R. Gleiter, D. B. Werz and H. Köppel
    Inorg. Chem. 46 (2007), 2249
    Theoretical Investigations on Heteronuclear Chalcogen−Chalcogen Interactions: On the Nature of Weak Bonds between Chalcogen Centers

  603. M. Bittner, H. Köppel and F. Gatti
    J. Phys. Chem. A 111 (2007), 2407
    Multidimensional Quantum Dynamical Study of beta−Hydrogen Transfer in a Cationic Rhodium Complex

  604. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 75 (2007), 052507
    Theory of magnetically induced anions

  605. I. Baldea, J. Franz and H. Köppel
    J. Mol. Struct. 838 (2007), 94
    Jahn−Teller and related conical intersections in the benzene radical cation and the monofluoro dervative

  606. I. Baldea and L. S. Cederbaum
    Phys. Rev. B 75 (2007), 125323
    Hidden quasisymmetry in the optical absorption of quantum dot nanorings

  607. I. Baldea, B. Schimmelpfennig, M. Plaschke, J. Rothe, J. Schirmer, A. B. Trofimov and T. Fanghänel
    J. Electron Spectrosc. Relat. Phenom. 154 (2007), 109−118
    C1s near edge X−ray absorption fine structure (NEXAFS) of substituted benzoic acids − A theoretical and experimental study

  608. V. Averbukh and L. S. Cederbaum
    in: Computational Methods in Science and Engineering, ed. G. Maroulis and T. Simos, , (2007)
    Interatomic (intermolecular) decay processes in clusters: Current status and outlook

  609. C. Amovilli, N. H. March and P. Schmelcher
    Phys. Lett. A 362 (2007), 449
    Modelling of Electron Density in Linear Configurations of H32+ and H43+ stabilized by an intense magnetic field along the chain axis

  610. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    Phys. Lett. A 362 (2007), 453
    Time−dependent multi−orbital mean−field for fragmented Bose−Einstein condensates

  611. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    J. Chem. Phys. 127 (2007), 154103
    Unified view on multiconfigurational time propagation for systems consisting of identical particles

  612. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    Phys. Rev. a 76 (2007), 062501
    Multiconfigurational time−dependent Hartree method for mixtures consisting of two types of identical particles

  613. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    Phys. Rev. A 76 (2007), 013611
    Multiorbital mean−field approach for bosons, spinor bosons, and Bose−Bose and Bose−Fermi mixtures in real−space optical lattices

  614. S. Zöllner, H.−D. Meyer and P. Schmelcher
    Phys. Rev. A 74 (2006), 063611
    Correlations in ultracold trapped few−boson systems: Transition from condensation to fermionization

  615. S. Zöllner, H.−D. Meyer and P. Schmelcher
    Phys. Rev. A 74 (2006), 053612
    Ultracold Few−Boson Systems in a Double−Well Trap

  616. L. Wang, H.−D. Meyer and V. May
    J. Chem. Phys. 125 (2006), 014102
    Femtosecond laser pulse control of multidimensional vibrational dynamics: Computational studies on the pyrazine molecule

  617. D. V. Tsivlin, H.−D. Meyer and V. May
    J. Chem. Phys. 124 (2006), 134907
    Vibrational excitations in alpha−helical polypeptides: Multiexciton self−trapping and related infrared transient absorption

  618. A. B. Trofimov, J. Schirmer, V. B. Kobychev, A. W. Potts, D. M. P. Holland and L. Karlsson
    J. Phys. B 39 (2006), 305
    Photoelectron spectra of the nucleobases cytosine, thymine and adenine

  619. A. B. Trofimov, I. L. Krivdina, J. Weller and J. Schirmer
    Chem. Phys. 329 (2006), 1
    Algebraic−diagrammatic propagator approach to molecular response properties

  620. A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. A. 73 (2006), 063626
    General variational many−body theory with complete self−consistency for trapped bosonic systems

  621. J. H. Starcke, M. Wormit, J. Schirmer and A. Dreuw
    Chem. Phys. 329 (2006), 39
    How much double excitation character do the lowest excited states of linear polyenes have?

  622. M. Sindelka, N. Moiseyev and L. S. Cederbaum
    Phys. Rev. A 74 (2006), 053420
    Dipole and quadrupole forces exerted on atoms in laser fields: The nonpertubative approach

  623. S. Scheit and L. S. Cederbaum
    Phys. Rev. Lett. 96 (2006), 233001
    Coincidence and total photoelectron spectra and their differences induced by internal degrees of freedom

  624. S. Scheit, V. Averbukh, H.−D. Meyer, J. Zobeley and L. S. Cederbaum
    J. Chem. Phys. 124 (2006), 154305
    Interatomic Coulombic decay in a heteroatomic rare gas cluster

  625. S. Scheit, H.−D. Meyer, N. Moiseyev and L. S. Cederbaum
    J. Chem. Phys. 124 (2006), 034102
    On the unphysical impact of complex absorbing potentials on the Hamiltonian and its remedy

  626. M. Pernpointner
    Chem. Phys. 329 (2006), 256
    Relativistic Calculation of the SeH2 and TeH2 Photoelectron Spectra

  627. M. Pernpointner, S. Knecht and L. S. Cederbaum
    J. Chem. Phys. 125 (2006), 034309
    Ionisation spectra and electronic decay in small iodide clusters: Fully relativistic results

  628. G. Pasin, F. Gatti, C. Iung and H.−D. Meyer
    J.Chem. Phys. 124 (2006), 194304
    Theoretical investigation of Intramolecular Vibrational Energy Redistribution in highly excited HFCO

  629. I. B. Müller and l. S. Cederbaum
    J. Chem. Phys. 125 (2006), 204305
    Ionization and double ionization of small water clusters

  630. H.−D. Meyer, F. Le Quere, C. Leonard and F. Gatti
    Chem. Phys. 329 (2006), 179−192
    Calculation and selective population of vibrational levels with the Mulitconfiguration Time−Dependent Hartree (MCTDH) algorithm

  631. I. Lesanovsky, P. Schmelcher and H. Sadeghpour
    J. Phys. B Lett. 39 (2006), 69−76
    Ultra Long−Range Rydberg Molecules Exposed to a Magnetic Field

  632. S. Saeidian I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 74 (2006), 065402
    Negative Energy Resonances of Bosons in Magnetic Quadrupole Traps

  633. I. Lesanovsky, S. Hofferberth, J. Schmiedmayer and P. Schmelcher
    Phys. Rev. A 74 (2006), 033619
    Manipulation of Ultracold Atoms in Dressed Adiabatic Radio Frequency Potentials

  634. H. Köppel
    in: Quantum Dynamics of Complex Molecular Systems, ed. D. A. Micha and I. Burghardt, Springer, Heidelberg (2006)
    Nonadiabatic Multimode Dynamics at Symmetry−Allowed Conical Intersections

  635. H. Köppel and B. Schubert
    Mol. Phys. 104 (2006), 1069−1079
    The concept of regularized diabatic states for a general conical intersection

  636. S. Klaiman, N. Moiseyev and L. S. Cederbaum
    Phys. Rev. A 73 (2006), 013622
    Exact solution of two bosons in a trap potential: Transition to fragmentation

  637. J. Kim, V. S. Melezhik and P. Schmelcher
    Phys. Rev. Lett. 97 (2006), 193203
    Suppression of Quantum Scattering in Strongly Confined Systems

  638. A. K. Karlis, P. K. Papachristou, F. K. Diakonos, V. Constantoudis and P. Schmelcher
    Phys. Rev. Lett. 97 (2006), 194102
    Hyperacceleration Mechanisms in the Stochastic Fermi−Ulam Model

  639. M. Ivanov and P. Schmelcher
    J. Phys. Cond. Mat. 18 (2006), 2963
    Electronic Transmission Through a Coupled Quantum Dot and Ring

  640. B. Hezel, I. Lesanovsky and P. Schmelcher
    Phys. Rev. Lett. 97 (2006), 223001
    Controlling Ultracold Rydberg Atoms in the Quantum Regime

  641. M. de Groot, W. J. Buma, E. V. Gromov, I. Burghardt, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 125 (2006), 204303
    Combined experimental−theoretical study of the lower excited singlet states of paravinyl phenol, an analog of the paracoumaric acid chromophore

  642. R. Gonzalez−Ferez, M. Mayle and P. Schmelcher
    Chem. Phys. 329 (2006), 203
    Rovibrational Dynamics of LiCs Dimers in Strong Electric Fields

  643. K. Gokhberg, V. Averbukh and L. S. Cederbaum
    J. Chem. Phys. 124 (2006), 144315
    Interatomic decay of inner−valence−excited states in clusters

  644. E. Gindensperger, I. Burghardt and L. S. Cederbaum
    J. Chem. Phys. 124 (2006), 144104
    Short−time dynamics through conical intersections in macrosystems. II. Applications

  645. E. Gindensperger, I. Burghardt and L. S. Cederbaum
    J. Chem. Phys. 124 (2006), 144103
    Short−time dynamics through conical intersections in macrosystems. I. Theory: Effective−mode formulation

  646. S. Feuerbacher and L. S. Cederbaum
    J. Chem. Phys. 124 (2006), 044320
    A small and stable covalently bound trianion

  647. P. S. Drouvelis, P. Schmelcher and P. Bastian
    Comp. Phys. 215 (2006), 741
    Parallel Implementation of the Recursive Greens Function Method

  648. C. Crespos, H.−D. Meyer, R. C. Mowrey and G. J. Kroes
    J. Chem. Phys. 124 (2006), 074706
    Multiconfiguration time−dependent Hartree method applied to molecular dissociation on surfaces: H2+Pt(111)

  649. L. S. Cederbaum, O. E. Alon and A. I. Streltsov
    Phys. Rev. A 73 (2006), 043609
    Coupled−cluster theory for systems of bosons in external traps

  650. I. Burghardt, J. T. Hynes, E. Gindensperger and L. S. Cederbaum
    Phys. Scr. 73 (2006), C42
    Ultrafast excited−state dynamics at a conical intersection: the role of environmental effects

  651. I. Burghardt, E. Gindensperger and L. S. Cederbaum
    Mol. Phys. 104 (2006), 1081
    An effective Hamiltonian for the short−time dynamics at a conical intersection

  652. D. Buchholz, P. S. Drouvelis and P. Schmelcher
    Phys. Rev. B 73 (2006), 235346
    Single electron Quantum dot in a spatially periodic magnetic field

  653. C. Bleiholder, D. B. Werz, H. Köppel and R. Gleiter
    J. Am. Chem. Soc. 128 (2006), 2666−2674
    Theoretical investigations on chalcogen−chalcogen interactions: what makes these nonbonded interactions bonding?

  654. R. C. Bilodeau, C. W. Walter, I. Dumitriu, N. D. Gibson, G. D. Ackermann, J. D. Bozek, B. S. Rude, R. Santra, L. S. Cederbaum and N. Berrah
    Chem. Phys. Lett. 426 (2006), 237
    Photo double detachment of CN: Electronic decay from an inner−valence hole in molecular anions

  655. J. Bill, M.−I. Trappe, I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 73 (2006), 053609
    Resonant Quantum Dynamics of Neutral Spin 1 Bosons in a Magnetic Guide

  656. I. Baldea, J. Franz, P. G. Szalay and H. Köppel
    Chem. Phys. 329 (2006), 65−75
    Multi−mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation

  657. I. Baldea and H. Köppel
    J. Chem. Phys. 124 (2006), 064101
    Multistate multimode vibronic dynamics: entanglement of electronic and vibrational degrees of freedom in the benzene radical cation

  658. V. Averbukh and L. S. Cederbaum
    J. Chem. Phys. 125 (2006), 094107
    Calculation of interatomic decay widths of vacancy states delocalized due to inversion symmetry

  659. V. Averbukh and L. S. Cederbaum
    Phys. Rev. Lett. 96 (2006), 053401
    Interatomic electronic decay in endohedral fullerenes

  660. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    Phys. rev. Lett. 97 (2006), 230403
    Demixing of bosonic mixtures in optical lattices from macroscopic to microscopic scales

  661. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    J. Mol. Structure 768 (2006), 151
    Copled−cluster theory for bosons in rings and optical lattices

  662. S. Zöllner, P. Schmelcher and H.−D. Meyer
    Europhys. Lett. 71 (2005), 373
    Multi−electron giant dipole resonances in crossed fields

  663. S. Zöllner, H.−D. Meyer and P. Schmelcher
    Phys. Rev. A 72 (2005), 033416
    N−electron giant dipole states in crossed electric and magnetic fields

  664. S. Woittequand, C. Toubin, B. Pouilly, M. Monnerville, S. Briquez and H.−D. Meyer
    Chem. Phys. Lett. 406 (2005), 202
    Photodissociation of a HCl molecule adsorbed on ice

  665. H. Wadepohl, U. Kohl, M. Bittner and H. Köppel
    Organometallics 24 (2005), 2097−2105
    Experimental and theoretical study of the hydride migration to ethylene in an electron−rich cobalt complex

  666. O. Vendrell and H.−D. Meyer
    J. Chem. Phys. 122 (2005), 104505
    Proton conduction along a chain of water molecules. Development of a linear model and quantum dynamical investigations using the multiconfiguration time−dependent Hartree method

  667. A. B. Trofimov and J. Schirmer
    J. Chem. Phys. 123 (2005), 144115\1−15
    Molecular ionization energies and ground− and ionicstate properties using a non−Dyson electron propagator approach

  668. G. Theocharis, P. Schmelcher, M. K. Oberthaler, P. G. Kevrekidis and D. J. Frantzeskakis
    Phys. Rev. A 72 (2005), 023609
    Dynamics of Dark Matter−Wave Solitons: A Lagrangian Approach

  669. A. I. Streltsov and L. S. Cederbaum
    Phys. Rev. A 71 (2005), 063612
    Properties of fragmented repulsive condensates

  670. B. Schubert, H. Köppel and H. Lischka
    J. Chem. Phys. 122 (2005), 184312
    A wave−packet simulation of the low−lying singlet electronic transitions of acetylene

  671. S. Scheit, H.−D. Meyer and L. S. Cederbaum
    Journal of Pysics: Conference series 4 (2005), 277
    The interatomic Coulombic decay in Ne2

  672. R. Santra and L. S. Cederbaum
    Phys. Rev. Lett. 94 (2005), 199901
    Erratum: Coulombic energy transfer and triple ionization in clusters

  673. K. Sakmann, A. I. Streltsov, O. E. Alon and L. S. Cederbaum
    Phys. Rev. A 72 (2005), 033613
    Exact ground state of finite Bose−Einstein condensates on a ring

  674. B. J. Rao, S. Mahapatra, H. Köppel and M. Jungen
    J. Chem. Phys. 123 (2005), 134325
    On the Exe−Jahn−Teller conical intersections in the 3p(E') and 3d(E'') Rydberg electronic states of triatomic hydrogen

  675. I. Powis, J. D. Thrower, A. B. Trofimov, T. E. Moskovskaya, J. Schirmer, A. W. Potts, M. P. Holland, F. Bruhn and L. Karlsson
    Chem. Phys. 315 (2005), 121−132
    An experimental and theoretical study of the photoelectron spectrum of hydrogen selenide

  676. B. Pouilly, M. Monnerville, F. Gatti and H.−D. Meyer
    J. Phys. Chem. 122 (2005), 184313
    Wave packet study of the UV photodissociation of the Ar2HBr complex

  677. M. Pernpointner and S. Knecht
    Chem. Phys. Lett. 410 (2005), 423
    The Influence of Relativistic Effects on the Ionization Spectra of the Alkali Iodides

  678. M. Pernpointner and L. S. Cederbaum
    J. Chem. Phys. 122 (2005), 214302
    Effect of relativity on the ionization spectra of the xenon fluorides XeFn (n=2,4,6)

  679. M. Pernpointner
    J. Phys. B. 38 (2005), 1955
    The effect of the Gaunt interaction on the molecular ionization spectra of CO, H2S and TlH

  680. M. Pernpointner, J. Breidbach and L. S. Cederbaum
    J. Chem. Phys. 122 (2005), 064311
    Remarkable interplay of electron correlation and relativity in the photoelectron spectrum of PtCl62−

  681. I. B. Müller and L. S. Cederbaum
    J. Chem. Phys. 122 (2005), 094305
    Electronic decay following ionization of aqueous Li+ microsolvation clusters

  682. B. Monozon and P. Schmelcher
    Phys. Rev. B 71 (2005), 085302
    Resonant Impurity and Exciton States in Narrow Quantum Wells

  683. N. Moiseyev and L. S. Cederbaum
    Phys. Rev. A 72 (2005), 033605
    Resonance solutions of the nonlinear Schrödinger equation: Tunneling lifetime and fragmentation of trapped condensates

  684. H.−D. Meyer
    Journal of Pysics: Conference series 4 (2005), 66
    Dynamics of excited molecular states

  685. A. Markmann, G. A. Worth, S. Mahapatra, H.−D. Meyer, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 123 (2005), 204310
    Simulation of a complex spectrum: Interplay of five electronic states and 21 vibrational degrees of freedom in C5H4+

  686. A. Markmann, G. A. Worth and L. S. Cederbaum
    J. Chem. Phys. 122 (2005), 144320
    Allene and pentatetraene cations as models for intramolecular charge transfer: Vibronic coupling Hamiltonian and conical intersections

  687. S. Mahapatra, V. Vallet, C. Woywod, H. Köppel and W. Domcke
    J. Chem. Phys. 123 (2005), 231103
    Remarkable impact of intermode couplings on multimode vibronic dynamics: the photoelectron spectrum of CH3F

  688. I. Lesanovsky and P. Schmelcher
    Eur. Phys. J. D Spec. Iss. 35 (2005), 31
    Selected Aspects of the Quantum Dynamics and Electronic Structure of Ultracold Atoms in Magnetic Microtraps

  689. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
    J. Phys. B Spec. Iss. 38 (2005), 151−170
    Rydberg Atoms in Magnetic Quadrupole Fields

  690. I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 72 (2005), 053410
    Quantum States of Ultracold Electronically Excited Atoms in a Magnetic Quadrupole Trap

  691. I. Lesanovsky and P. Schmelcher
    Phys. Rev. Lett. 95 (2005), 053001
    Magnetic Trapping of Ultracold Rydberg Atoms

  692. I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 71 (2005), 032510
    Spectral Properties and Lifetimes of Neutral Fermions and Bosons in a Magnetic Quadrupole Trap

  693. I. B. Müller und L. S. Cederbaum
    J. Phys. Chem. A 109 (2005), 10424−10437
    Microsolvation fo F in Water

  694. A. I. Kuleff, J. Breidbach and L. S. Cederbaum
    J. Chem. Phys. 123 (2005), 044111
    Multielectron wave−packet propagation: General theory and application

  695. N. V. Kryzhevoi and L. S. Cederbaum
    J. Chem. Phys. 123 (2005), 154308
    Competitive charge− and energy−transfer processes following core ionization in the NaCO cluster

  696. N. V. Kryzhevoi, N. V. Dobrodey and L. S. Cederbaum
    J. Chem. Phys. 122 (2005), 104304
    Charge transfer in the ClCO cluster induced by core ionization

  697. S. Knippenberg, M. S. Deleuze, T. J. Cleij, J.−P. Francois, L. S. Cederbaum and J. H. D. Eland
    J. Phys. Chem. A 109 (2005), 4267
    The band 12 issue in the electron momentum spectra of norbornane: A comparison with additonal Greens's function calculations and ultraviolet photoemission measurements

  698. J. Kim, J. Schmiedmayer and P. Schmelcher
    Phys. Rev. A 72 (2005), 042711
    Quantum Scattering in Strong Cylindrical Confinement

  699. M. P. Holland, A. W. Potts, A. B. Trofimov, J. Breidbach, J. Schirmer, R. Feifel, T. Richter, K. Godehusen, M. Martins, A. Tutay, M. Yalcinkaya, M. Al−Hada, S. Eriksson and L. Karlsson
    Chem. Phys. 308 (2005), 543−57
    An experimental and theoretical study of the valence shell photoelectron spectrum tetrafluoromethane

  700. H. Henning, J. Breidbach and L. S. Cederbaum
    J. Phys. Chem. A 109 (2005), 409
    Electron correlation as the driving force for charge transfer: Charge migration following ionization in N−methyl acetamide

  701. H. Hennig, J. Breidbach and L. S. Cederbaum
    J. Chem. Phys. 122 (2005), 249901
    Erratum: Charge transfer driven by electron correlation: A non−Dyson propagator approach

  702. H. Hennig, J. Breidbach and L. S. Cederbaum
    J. Chem. Phys. 122 (2005), 134103
    Charge transfer driven by electron correlation: A non−Dyson propagator approach

  703. E. V. Gromov, I. Burghardt, H. Köppel and L. S. Cederbaum
    J. Phys. Chem. A 109 (2005), 4623−4631
    Impact of sulfur vs oxygen on the low−lying excited states of trans−p−coumaric acid and trans−p−coumaric thio acid

  704. R. Gonzalez−Ferez and P. Schmelcher:
    Eur. Phys. Lett. 72 (2005), 555
    Rotation−Vibration Mixing of Heteronuclear Dimers in Electric Fields

  705. R. Gonzalez−Ferez and P. Schmelcher
    Phys. Rev. A 71 (2005), 033416
    Electric Field−Induced Adiabaticity in the Rovibrational Dynamics of Heteronuclear Diatomic Molecules

  706. K. Gokhberg, A. B. Trofimov, T. Sommerfeld and L. S. Cederbaum
    Europhys. Lett. 72 (2005), 228
    Ionization of metal atoms following valence−excitation of neighbouring molecules

  707. F. Gatti, F. Otto, S. Sukiasyan and H.−D. Meyer
    J. Chem Phys. 123 (2005), 174311
    Rotational excitation cross sections of para−H2 + para−H2 collisions. A full−dimensional wave packet propagation study using an exact form of the kinetic energy.

  708. N. Fytas, F. K. Diakonos, P. Schmelcher, M. Scheid, A. Lassl, K. Richter and G. Fagas
    Phys. Rev. B 72 (2005), 085336
    Magnetic−Field Dependence of Transport in Normal and Andreev Billiards: A Classical Interpretation to the Quantum Results

  709. S. Feuerbacher and R. Santra
    J. Chem. Phys. 12 (2005), 194310
    Calculating molecule Rydberg states using the one−particle Green's function: Application to HCO and C(NH2)3

  710. S. Feuerbacher and L. S. Cederbaum
    J. Phys. Chem. A 109 (2005), 11401
    Stable and long−lived trianions in the gas phase

  711. B. Feuerbacher and L. S. Cederbaum
    Phys. Rev. A 72 (2005), 022731
    Direct diagrammatic construction scheme for the inelastic propagator between simply excited states

  712. B. Feuerbacher and L. S. Cederbaum
    Phys. Rev. A 72 (2005), 012705
    Diagrammatic approaches to the inelastic propagator

  713. L. S. Cederbaum, E. Gindensperger and I. Burghardt
    Phys. Rev. Lett. 94 (2005), 113003
    Short−time dynamics through conical intersections in macrosystems

  714. I. Burghardt, L. S. Cederbaum and J. T. Hynes
    Comp. Phys. Communications 169 (2005), 95
    Ultrafast excited−state charge transfer at a conical intersection

  715. J. Breidbach and L. S. Cederbaum
    Phys. Rev. Lett. 94 (2005), 033901
    Universial attosecond response to the removal of an electron

  716. H. Bock, I. Lesanovsky and P. Schmelcher
    J. Phys. B 38 (2005), 893
    Neutral Two−Body Systems in Inhomogeneous Magnetic Fields: The Quadrupole Configuration

  717. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
    Phys. Rev. Lett. 95 (2005), 113002
    Quantum states of magnetically induced anions

  718. R. Baer, Y. Kurzweil and L. S. Cederbaum
    Is. J. Chem. 45 (2005), 161
    Time−dependent density functional theory for nonadiabatic processes

  719. V. Averbukh and L. S. Cederbaum
    J. Chem. Phys. 123 (2005), 204107
    Ab initio calculation of interatomic decay rates by a combination of the Fano Ansatz, Green's−function methods, and the Stieltjes imaging technique

  720. O. E. Alon, A. I. Streltsov and L. S. Cederbaum
    Phys. Lett. A 347 (2005), 88
    Fragmentation of Bose−Einstein condensates in multi−well three−dimensional traps

  721. O. E. Alon and L. S. Cederbaum
    Phys. Rev. Lett. 95 (2005), 140402
    Pathway from condensation via fragmentation to fermionization of cold bosonic systems

  722. O. E. Alon, A. Streltsov and L. S. Cederbaum
    Phys. Rev. B 71 (2005), 125113
    Interacting fermions and bosons with definite total momentum

  723. O. Alon, A. I. Streltsov and L. S. Cederbaum
    Phys. Rev. Lett. 95 (2005), 030405
    Zoo of quantum phases and excitations of cold bosonic atoms in optical lattices

  724. G. A. Worth, H.−D. Meyer and L. S. Cederbaum
    in: Conical Intersections, ed. W. Domcke, D. R. Yarkony and H. Köppel, World Scientific, NJ, Singapore (2004)
    Multidimensional dynamics involving a conical intersection: Wavepacket calculations using the MCTDH method

  725. G. A. Worth and L. S. Cederbaum
    Ann. Rev. Phys. Chem. 55 (2004), 127
    Beyond Born−Oppenheimer: Molecular dynamics through a conical intersection

  726. D. Vrinceanu, B. E. Granger, R. Parrott, H. R. Sadeghpour, L. S. Cederbaum, A. Mody, J. Tan and G. Gabrielse
    Phys. Rev. Lett. 92 (2004), 133402
    Strongly magnetized antihydrogen and its field ionization

  727. T. S. Venkatesan, S. Mahapatra, L. S. Cederbaum and H. Köppel
    J. Phys. Chem. A 108 (2004), 2256
    Theoretical investigation of Jahn−Teller dynamics in the 2E' electronic ground state of the cyclopropane radical cation

  728. A. I. Streltsov, L. S. Cederbaum and N. Moiseyev
    Phys. Rev. A 70 (2004), 053607
    Ground−state fragmentation of repulsive Bose−Einstein condensates in double−trap potentials

  729. T. Sommerfeld, H.−D. Meyer and L. S. Cederbaum
    Phys. Chem. Chem. Phys. 6 (2004), 42
    Potential energy surface of the CO2 anion

  730. T. Sommerfeld
    J. Chem. Phys. 121 (2004), 4097
    Multipole−bound states of Succinonitrile and other dicarbonitriles

  731. P. Schwerdtfeger, M. Pernpointner and W. Nazarewitcz
    in: Calculation of NMR and EPR Parameters, Theory and Applications, ed. M. Kaupp and M. Bühl and V. Malkin, Wiley−VCH, Weinheim (2004)
    Calculation of Nuclear Quadrupole Coupling Constants

  732. P. Schmelcher and J. Schirmer
    in: Encyclopedia of Nonlinear Science, ed. A. Scott, Fitzroy Dearborn, London (2004)
    Hartree Approximation

  733. J. Schirmer and A. B. Trofimov
    J. Chem. Phys. 120 (2004), 11449−11464
    Intermediate state representation approach to physical properties of electronically excited molecules

  734. S. Scheit, V. Averbukh, H.−D. Meyer, N. Moiseyev, R. Santra, T. Sommerfeld, J. Zobeley and L. S. Cederbaum
    J. Chem. Phys. 121 (2004), 8393
    On the interatomic Coulombic decay in the Ne dimer

  735. F. Richter, P. Rosmus, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 120 (2004), 6072−6084
    Time−dependent wavepacket study on trans−cis isomerisation of HONO

  736. F. Richter, M. Hochlaf, P. Rosmus, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 120 (2004), 1306−1317
    A study of mode−selective trans−cis isomerisation in HONO using ab initio methodology

  737. D. Pingel, P. Schmelcher and F. K. Diakonos
    Phys. Rep. 400 (2004), 67
    Stabilisation Transformations: A Tool to Solve Nonlinear Problems

  738. M. Pernpointner
    J. Chem. Phys. 121 (2004), 8782
    The one−particle Green's function method in the Dirac−Hartree−Fock framework. II. Third−order valence ionization energies of the noble gases, CO and ICN.

  739. M. Pernpointner and A. B. Trofimov
    J. Chem. Phys. 120 (2004), 4098
    The one−particle Green's function method in the Dirac−Hartree−Fock framework. I. Second−order valence ionization energies of Ne through Xe.

  740. E. Narevicius, N. Moseyev, H. R. Sadeghpour and L. S. Cederbaum
    J. Chem. Phys. 121 (2004), 3527
    Extremely narrow peaks in predissociation of sodium dimer due to rovibronic coupling

  741. I. B. Müller, L. S. Cederbaum and F. Tarantelli
    J. Phys. Chem. A 108 (2004), 5831
    Microsolvation of Li+ in water analyzed by ionization and double ionization

  742. B. Monozon, M. V. Ivanov and P. Schmelcher
    Phys. Rev. B 70 (2004), 205336
    Impurity Center in a Semiconductor Quantum Ring in the Presence of a Radial Electric Field

  743. N. Moiseyev, S. Scheit and L. S. Cederbaum
    J. Chem. Phys. 121 (2004), 722
    Non−Hermitian quantum mechanics: Wave packet propagation on autoionizing potential energy surfaces

  744. S. Mahapatra, V. Vallet, C. Woywod, H. Köppel and W. Domcke
    Chem. Phys. 304 (2004), 17−34
    Multimode Jahn−Teller and pseudo−Jahn−Teller coupling effects in the photoelectron spectrum of CH3F

  745. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
    Europhysics Letters 65 (2004), 478
    Rydberg Atoms in Magnetic Quadrupole Traps

  746. I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 70 (2004), 063604
    Spectral Properties and Lifetimes of Neutral Spin 12 Fermions in a Magnetic Guide

  747. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
    Phys. Rev. A 69 (2004), 053405
    Electronic Structure of Atoms in Magnetic Quadrupole Fields

  748. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
    Phys. Rev. A 70 (2004), 043409
    Rydberg Atoms in a Magnetic Guide

  749. B. Lasorne, F. Gatti, E. Baloitcha, H.−D. Meyer and M. Desouter−Lecomte
    J. Chem. Phys. 121 (2004), 644−654
    Cumulative isomerization probability studied by various transition state wave packet methods including the MCTDH algorithm. Benchmark: HCN → CNH

  750. H. Köppel
    in: CCP6 booklet on "Quantum dynamics at conical intersections", ed. G. A. Worth and S. C. Althorpe, , (2004)
    Quantum dynamics at conical intersections treated within the multi−mode vibronic coupling approach and its generalizations

  751. H. Köppel
    in: Conical Intersections, ed. W. Domcke, D. R. Yarkony and H. Köppel, World Scientific, NJ, Singapore (2004)
    Jahn−Teller and pseudo Jahn−Teller vibronic dynamics

  752. H. Köppel, W. Domcke and L. S. Cederbaum
    in: Conical Intersections, ed. W. Domcke, D.R. Yarkony and H. Köppel, World Scientific, NJ, (2004)
    The multi−mode vibronic−Coupling approach

  753. H. Köppel
    Faraday Discuss. 127 (2004), 35−47
    Regularized diabatic states and quantum dynamics on intersecting potential energy surfaces

  754. H. Köppel, E. V. Gromov and A. B. Trofimov
    Chem. Phys. 304 (2004), 35−49
    Multi−mode multi−state quantum dynamics of key five−membered heterocycles: spectroscopy and ultrafast internal conversion

  755. H. Köppel
    in: Conical Intersections, ed. W. Domcke, D. R. Yarkony and H. Köppel, World Scientific, NJ, Singapore (2004)
    Methods for the construction of diabatic electronic states

  756. W. Domcke, D. R. Yarkony and H. Köppel, eds.
    Conical Intersections, Advanced Series in Physical Chemistry 15
    World Scientific, NJ, Singapore (2004)

  757. C. Iung, F. Gatti and H.−D. Meyer
    J. Chem. Phys. 120 (2004), 6992−6998
    Intramolecular Vibrational Energy Redistribution in the highly excited Fluoroform Molecule: A quantum mechanical study using the MCTDH algorithm

  758. M. P. Holland, I. Powis, L. Karlsson, A. B. Trofimov, J. Schirmer and W. von Niessen
    Chem. Phys. 297 (2004), 55
    A study of the photoinization dynamics of the cyanogen halides

  759. D. J. Haxton, Z. Zhang, H.−D. Meyer, T. N. Rescigno and C. W. McCurdy
    Phys. Rev. A 69 (2004), 062714
    Dynamics of dissociative attachment of electrons to water through the 2B1 metastable state of the anion.

  760. E. V. Gromov, A. B. Trofimov, N. M. Vitkovskaya, H. Köppel, J. Schirmer, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 121 (2004), 4585
    Theoretical study of excitations in furan: Spectra and molecular dynamics

  761. R. Gonzalez and P. Schmelcher
    Physical Review A 69 (2004), 023402
    Rovibrational Spectra of Diatomic Molecules in Strong Electric Fields: The Adiabatic Regime

  762. F. Gatti and H.−D. Meyer
    Chem. Phys. 304 (2004), 3−15
    Intramolecular Vibrational Energy Redistribution in Toluene: A nine dimensional Quantum mechanical study using the MCTDH algorithm

  763. S. Feuerbach, T. Sommerfeld and L. S. Cederbaum
    J. Chem. Phys. 121 (2004), 6628
    Extrapolating bound state data of anions into the metastable domain

  764. S. Feuerbacher, T. Sommerfeld and L. S. Cederbaum
    J. Chem. Phys. 121 (2004), 6624
    Extrapolating bound state data of anions into the metastable domain

  765. S. Feuerbacher and L. S. Cederbaum
    J. Chem. Phys. 121 (2004), 5
    Jahn−Teller effect for short−lived states: Study of the complex potential energy surfaces

  766. S. Feuerbacher, T. Sommerfeld and L. S. Cederbaum
    J. Chem. Phys. 120 (2004), 3201
    Intersections of potential energy surfaces of short−lived states: The complex analogue of conical intersection

  767. P. S. Drouvelis, P. Schmelcher and F. K. Diakonos
    J. Phys. Cond. Mat. 16 (2004), 3633
    Two−Electron Anisotropic Quantum Dots in Magnetic Fields

  768. P. S. Drouvelis, P. Schmelcher and F. K. Diakonos
    Phys. Rev. B 69 (2004), 155312
    Probing the Shape of Quantum Dots with Magnetic Fields

  769. P. Drouvelis, P. Schmelcher and F. K. Diakonos
    Physical Review B 69 (2004), 035333
    Global View on the Electronic Properties of Two−Electron Anisotropic Quantum Dots

  770. A. Dreuw, G. A. Worth, L. S. Cederbaum and M. Head−Gordon
    J. Phys. Chem. B 108 (2004), 19049
    Ultrafast photoinitiated long−range electron transfer in cyclophane−bridge zincporphyrin−quinone complexes via conical intersections

  771. L. S. Cederbaum
    in: Conical Intersections, ed. W. Domcke, D.R. Yarkony and H. Köppel, World Scientific, NJ, (2004)
    Born−Oppenheimer approximation and beyond

  772. L. S. Cederbaum and A. I. Streltsov
    Phys. Rev. A 70 (2004), 023610
    Self−consistent fragmented excited states of trapped condensates

  773. Christoph Cattarius and Hans−Dieter Meyer
    J. Chem. Phys. 121 (2004), 9283−9296
    Multi−dimensional density operator propagations in open systems: Model studies on vibrational relaxation and surfaces sticking processes

  774. Ch. Buth, R. Santra and L. S. Cederbaum
    Phys. Rev. A 69 (2004), 032505
    Non−Hermitian Rayleigh−Schrödinger perturbation theory

  775. I. Burghardt, L. S. Cederbaum and J. T. Hynes
    Faraday Discuss. 127 (2004), 395
    Environmental effects on a conical intersection: A model study

  776. I. Burghardt, K. B. Møller, G. Parlant, L. S. Cederbaum and E. R. Bittner
    Int. J. Quant. Chem. 100 (2004), 1153
    Quantum hydrodynamics: Mixed states, dissipation, and a new hybrid quantum−classical approach

  777. M. Bittner and H. Köppel
    J. Phys. Chem. A 108 (2004), 11116
    Quantum dynamical study of beta−hydrogen transfer in two selected late−transition metal complexes

  778. I. Baldea, A. K. Gupta, L. S. Cederbaum and N. Moiseyev
    Phys. Rev. B 69 (2004), 245311
    High−harmonic generation by quantum−dot nanorings

  779. I. Baldea and H. Köppel
    Eur. Phys. J. D 30 (2004), 209−215
    Three−dimensional vibronic analysis of the B' system of Na3

  780. I. Baldea, H. Köppel and L. S. Cederbaum
    Phys. Rev. B 69 (2004), 075307
    Impact of phonons on quantum phase transitions in nanorings of coupled quantum dots

  781. V. Averbukh, I. B. Müller and L. S. Cederbaum
    Phys. Rev. Lett. 93 (2004), 263002
    Mechanism of interatomic Coulombic decay in clusters

  782. O. E. Alon, A. I. Streltsov, K. Sakmann and L. S. Cederbaum
    Europhys. Lett. 67 (2004), 8
    Continuous configuration−interaction for condensates in a ring

  783. O. A. Al−Hujaj and P. Schmelcher
    Phys. Rev. A 70 (2004), 23411
    Beryllium in Strong Magnetic Fields

  784. O. A. Al−Hujaj and P. Schmelcher
    Phys. Rev. A 70 (2004), 033411
    Lithium Atom in a Strong Magnetic Field

  785. C. Woywod, S. Scharfe, R. Krawczyk, W. Domcke and H. Köppel
    J. Chem. Phys. 118 (2003), 5880−5893
    Theoretical investigation of Jahn−Teller and pseudo−Jahn−Teller interactions in the ammonia cation

  786. A. B. Trofimov, E. V. Gromov, H. Köppel, J. Schirmer, K. C. Prince, R. Richter, M. De Simone and M. Coreno
    J. Phys. B 36 (2003), 3805−3816
    A theoretical study of the 1B1(O1s→π*) and 1A1(O1s→3s) excited states of formaldehyde

  787. J. Trin, M. Monerville, B. Pouilly and H.−D. Meyer
    J. Chem. Phys. 118 (2003), 600−609
    Photodissociation of the ArHBr complex investigated with the Multi−Configuration Time−Dependent Hartree (MCTDH) approach.

  788. A. Thiel, J. Schirmer and H. Köppel
    J. Chem. Phys. 119 (2003), 2088−2101
    An intermediate state representation approach to K−shell ionization in molecules. II. Computational tests

  789. A. Streltsov, N. V. Dobrodey and L. S. Cederbaum
    J. Chem. Phys. 119 (2003), 3051
    Charge transfer effects in molecule−negative ion complexes induced by core ionization

  790. T. Sommerfeld
    J. Phys. B 36 (2003), L127
    A fresh look at the 2A1 CO2 potential energy surface.

  791. T. Sommerfeld, S. Feuerbacher, M. Pernpointner and L. S. Cederbaum
    J. Chem. Phys. 118 (2003), 1747
    Electronic structure of isolated dianions

  792. P. Schmelcher and L. S. Cederbaum
    in: High Magnetic Fields, ed. F. Herlach and N. Miura, World Scientific, London (2002)
    Atoms and molecules in strong magnetic fields

  793. J. Schmidt−Klügmann, H. Köppel, S. Schmatz and P. Botschwina
    Chem. Phys. Lett. 369 (2003), 21−30
    Bilinear Jahn−Teller coupling effects in the methoxy radical: impact on photoelectron spectra and spin−orbit splittings

  794. P. Schlagheck, D. Pingel and P. Schmelcher
    Physical Review A 68 (2003), 053410
    Collinear Helium Under Periodic Driving: Stabilization of the Asymmetric Stretch Orbit

  795. S. Scheit, L. S. Cederbaum and H.−D. Meyer
    J. Chem. Phys. 118 (2003), 2092−2107
    Time−dependent interplay between electron emission and fragmentation in the interatomic Coulombic decay

  796. R. Santra and L. S. Cederbaum
    Phys. Rev. Lett. 90 (2003), 153401
    Coulombic energy transfer and triple ionization in clusters

  797. A. W. Potts, D. M. P. Holland, A. B. Trofimov, J. Schirmer, L. Karlsson and K. Siegbahn
    J. Phys. B 36 (2003), 3129
    An experimental and theoretical study of the valence shell photoelectron spectra of purine and pyrimidine molecules

  798. M. Pernpointner and L. Visscher
    J. Comp. Chem. 24 (2003), 754
    Parallelization of four−component calculations. II. Symmetry−driven parallelization of the 4−spinor CCSD algorithm

  799. M. Nest and H.−D. Meyer
    J. Chem. Phys. 119 (2003), 24
    Dissipative Quantum Dynamics of Anharmonic Oscillators with the Multi−Configuration Time−Dependent Hartree (MCTH) Method

  800. I. Müller, R. Santra and L. S. Cederbaum
    Int. J. Quantum. Chem. 94 (2003), 75
    Resonances and pseudoresonances in a potential with attractive Coulomb tail: A study using analytic−continuation techniques

  801. B. S. Monozon and P. Schmelcher
    Journal of Physics: Condensed Matter 15 (2003), 2725
    D Centre in a Quantum Well in the Presence of Parallel Electric and Strong Magnetic Fields

  802. B. S. Monozon and P. Schmelcher
    Physical Review B 67 (2003), 045203
    Impurity Center in a Semiconductor Quantum Ring in the Presence of Crossed Magnetic and Electric Fields

  803. H.−D. Meyer and G. A. Worth
    Theor. Chem. Acc. 109 (2003), 251−267
    Quantum molecular dynamics: Propagating wavepackets and density operators using the Multi−configuration time−dependent Hartree (MCTDH) method

  804. C. W. McCurdy, W. A. Isaacs, H.−D. Meyer and T. N. Rescigno
    Phys. Rev. A 67 (2003), 042708−1−19
    Resonant vibrational excitation of CO2 by electron impact: Nuclear dynamics on the coupled components of the 2Πu resonance

  805. N. V. Kryzhevoi, N. V. Dobrodey and L. S. Cederbaum
    J. Chem. Phys. 118 (2003), 2081
    Equivalent core model: Extended theory and applications

  806. N. V. Kryzhevoi, N. V. Dobrodey and L. S. Cederbaum
    J. Chem. Phys. 119 (2003), 12138
    Core−hole Hamiltonians and corrected equivalent core model for systems with equivalent atoms

  807. H. Köppel, I. Baldea and P. G. Szalay
    Adv. in Quantum Chem. 44 (2003), 200−217
    Combined Jahn−Teller and pseudo Jahn−Teller effects in the benzene radical cation

  808. E. V. Gromov, A. B. Trofimov, N. M. Vitkovskaya, J. Schirmer and H. Köppel
    J. Chem. Phys. 119 (2003), 737−753
    Theoretical study of the low−lying excited singlet states of furan

  809. R. Gonzalez and P. Schmelcher
    European Physical Journal D 23 (2003), 189
    The Sodium Atom in a Strong Magnetic Field

  810. S. Feuerbacher and L. S. Cederbaum
    J. Am. Chem. Soc. 125 (2003), 9531
    Influence of delocalization on the stability of dianions: Study of a systematic series of dianions with growing electronic localization

  811. S. Feuerbacher, T. Sommerfeld, R. Santra and L. S. Cederbaum
    J. Chem. Phys. 118 (2003), 6188
    Complex absorbing potentials in the framework of electron propagator theory. II. Application to temporary anions.

  812. P. S. Drouvelis, P. Schmelcher and F. K. Diakonos
    Europhysics Letters 64 (2003), 232
    Two−Electron Anisotropic Quantum Dots

  813. L. S. Cederbaum and A. I. Streltsov
    Phys. Lett. A 318 (2003), 564
    Best mean−field for condensates

  814. L. S. Cederbaum and N. Moiseyev
    Is. J. Chem. 43 (2003), 267
    On the collapse and restoration of condensates in n dimensions in the mean−field approximation

  815. L. S. Cederbaum, R. S. Friedman, V. M. Ryaboy and N. Moiseyev
    Phys. Rev. Lett. 90 (2003), 013001
    Conical intersections and bound states in the continuum

  816. Ch. Buth, R. Santra and L. S. Cederbaum
    J. Chem. Phys. 119 (2003), 7763
    Ionization of the xenon fluorides

  817. Ch. Buth, R. Santra and L. S. Cederbaum
    J. Chem. Phys. 119 (2003), 10575
    Impact of interatomic electronic decay processes on Xe4d hole decay in the xenon fluorides

  818. J. Breidbach and L. S. Cederbaum
    J. Chem. Phys. 118 (2003), 3983
    Migration of holes: Formalism, mechanisms, and illustrative applications

  819. M. Bittner and H. Köppel
    Phys. Chem. Chem. Phys. 5 (2003), 4604−4611
    Reaction path description of the vinylidene−acetylene isomerization

  820. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
    Phys. Chem. Chem. Phys. 5 (2003), 4981
    Magnetically induced anions

  821. V. G. Bezchastnov and L. S. Cederbaum
    Phys. Rev. A 68 (2003), 012501
    Moving magnetically induced anions: Possibility of a description of quantum states

  822. O. E. Alon and L. S. Cederbaum
    in: Fundamental World of Quantum Chemistry, ed. E. J. Brändas and E. S. Kryachko, Kluwer, Dordrecht (2003)
    Green function for elastic scattering from open−shell many−body targets

  823. O. E. Alon
    J. Phys.: Conds. Matt. 14 (2003), 2489
    From spatial symmetry to vibrational spectroscopy of single−walled nanotubes

  824. O. E. Alon
    Phys. Rev. B 67 (2003), 121103
    Bulk photogalvanic effects beyond second order

  825. O. E. Alon and L. S. Cederbaum
    Phys. Rev. B 68 (2003), 033105
    Hellman−Feynman theorem at degeneracies

  826. O. A. Al−Hujaj and P. Schmelcher
    Physical Review A 68 (2003), 053403
    Electromagnetic Transitions of the Helium Atom in Superstrong Magnetic Fields

  827. O. A. Al−Hujaj and P. Schmelcher
    Physical Review A 67 (2003), 023403
    The Helium Atom in Superstrong Magnetic Fields

  828. N. Zint, A. Dreuw and L. S. Cederbaum
    J. Am. Chem. Soc. 124 (2002), 4910
    Gas−phase stability of derivatives of the closo−hexaborate dianion B6H62−

  829. M. N. R. Wohlfarth and L. S. Cederbaum
    J. Chem. Phys. 116 (2002), 8723
    Systematic corrections to the equivalent core model

  830. M. N. R. Wohlfarth and L. S. Cederbaum
    Phys. Rev. A 65 (2002), 052703
    Ionization of core electrons

  831. R. Wesendrup, G. E. Moyano, M. Pernpointner and P. Schwerdtfeger
    J. Chem. Phys. 117 (2002), 7506
    Geometry Optimization of Triply Charged Yttrium−Doped Helium Clusters HenY3+

  832. A. B. Trofimov, G. Stelter and J. Schirmer
    J. Chem. Phys. 117 (2002), 6402
    Electron excitation energies using a consistent third−order propagator approach: Comparison with full configuration interaction and coupled cluster results

  833. A. B. Trofimov, J. Schirmer, D. M. P. Holland, A. W. Potts, L. Karlsson, R. Maripuu and K. Siegbahn
    J. Phys. B 35 (2002), 5051
    The influence of electron correlation and relativistic effects on the valence shell photoelectron spectrum of iodothiophene

  834. S. Sukiasyan and H.−D. Meyer
    J. Chem. Phys. 116 (2002), 10641−10647
    Reaction cross section for the H+D20=1) → HD+D and D+H20=1) → DH+H systems. A multi−configuration time−dependent Hartree (MCTDH) wave−packet propagation study.

  835. T. Sommerfeld
    PCCP 4 (2002), 2511
    Coupling between dipole−bound and valence states: the Nitromethane anion

  836. T. Sommerfeld and H.−D. Meyer
    J. Phys. B 35 (2002), 1841
    Computing the energy−dependent width of temporary anions from L2 ab initio methods

  837. T. Sommerfeld
    J. Am. Chem. Soc. 124 (2002), 1119
    A fresh look at aromatic dianions

  838. R. Santra and L. S. Cederbaum
    J. Chem. Phys. 117 (2002), 5511
    Complex absorbing potentials in the framework of electron propagator theory. I. General formalism

  839. R. Santra and L. S. Cederbaum
    Phys. Rep. 368 (2002), 1
    Non−Hermitian electronic theory and applications to clusters

  840. T. N. Rescigno, W. A. Isaacs, A. E. Orel, H.−D. Meyer and C. W. McCurdy
    Phys. Rev. A 65 (2002), 32716
    Theoretical study of resonant excitation of CO2 by electron impact

  841. M. Pernpointner
    in: Relativistic Quantum Chemistry, ed. P. Schwerdtfeger, Elsevier Science Publishers, Amsterdam (2002)
    Accurate Determination of Electric Field Gradients for Heavy Atoms and Molecules

  842. M. Pernpointner
    J. Phys. B: At. Mol. Opt. Phys. 35 (2002), 383
    The effect of the Gaunt interaction on the electric field gradient

  843. P. K. Papachristou, F. K. Diakonos, V. Constantoudis, P. Schmelcher and L. Benet
    Physics Letters A 306 (2002), 116
    Classical Scattering From an Oscillating Target

  844. M. Nest and H.−D. Meyer
    Chem. Phys. Lett. 352 (2002), 486−490
    Improving the mapping mechanism of the mapped Fourier method

  845. M. Nest and H.−D. Meyer
    J. Chem. Phys. 117 (2002), 10499−10505
    Benchmark calculations on high−dimensional Henon−Heiles potentials with the Multi−Configuration Time−Dependent Hartree (MCTDH) Method

  846. H. Nauendorf, G. A. Worth, H.−D. Meyer and O. Kühn
    J. Phys. Chem. 106 (2002), 719−724
    Multi−configuration time−dependent Hartree Dynamics on an ab initio Reaction Surface: Ultrafast Laser−Driven Proton Motion in Phthalic Acid Monomethylester.

  847. I. B. Müller, J. Zobeley and L. S. Cederbaum
    J. Chem. Phys. 117 (2002), 1085
    Comparison of electronic decay of valence ionized fluorinated carbanions and their acids

  848. H. Köppel, M. Döscher, I. Baldea, H.−D. Meyer and P. G. Szalay
    J. Chem. Phys. 117 (2002), 2657−2671
    Multistate vibronic interactions in the benzene radical cation. II. Quantum dynamical simulations

  849. A. M. Kenis, L. S. Cederbaum and N. Moiseyev
    J. IEEE Quantum Electron., 38 (2002), 1638
    Enhancement of power transfer in periodic array of optical waveguides via intermediate Bloch states

  850. M. V. Ivanov and P. Schmelcher
    Physical Review B 65 (2002), 205313
    Two−Dimensional Negative Donors in Magnetic Fields

  851. D. M. P. Holland, A. W. Potts, L. Karlsson, A. B. Trofimov and J. Schirmer
    J. Phys. B 35 (2002), 1741
    The influence of shape resonance phenomena on the valence shell photoionization dynamics of silicon tetrafluoride

  852. H. Gnaser, A. Dreuw and L. S. Cederbaum
    J. Chem. Phys. 117 (2002), 7002
    Discovery of a new class of stable gas−phase dianions: Mixed oxygen−carbon cluster (n=5−19)

  853. R. S. Friedman, I. Podzielinski, L. S. Cederbaum, V. M. Ryaboy and N. Moiseyev
    J. Phys. Chem. A 106 (2002), 4320
    Vibronic resonances arising from conically intersecting electronic states

  854. D. J. Frantzeskakis, G. Theocharis, F. K. Diakonos, P. Schmelcher and Yu. S. Kivshar
    Physical Review A 66 (2002), 053608
    Interaction of Dark Solitons with Localized Impurities in Bose−Einstein Condensates

  855. S. Feuerbacher, A. Dreuw and L. S. Cederbaum
    J. Am. Chem. Soc. 124 (2002), 3163
    Cyclic carbon cluster dianions and their aromaticity

  856. A. Dreuw, T. Sommerfeld and L. S. Cederbaum
    J. Chem. Phys. 116 (2002), 6039
    Short− and long−lived electronic states of BF

  857. A. Dreuw and L. S. Cederbaum
    in: Theoretical Prospects of Negative Ions, ed. J. Kalcher, Research Signpost, Kerala (2002)
    Free stable and long−lived multiply charged anions

  858. A. Dreuw and L. S. Cederbaum
    Chem. Rev. 102 (2002), 181
    Multiply charged anions in the gas phase

  859. A. Dreuw, H. Schweinsberg and L. S. Cederbaum
    J. Phys. Chem. A 106 (2002), 1406
    Long−lived gas−phase dianions containing tetrahedrally coordinated oxygen atoms: O(BN)42− and O(C2)42−

  860. A. Dreuw, N. Zint and L. S. Cederbaum
    J. Am. Chem. Soc. 124 (2002), 10903
    Dianionic tetraborates do exist as stable entities

  861. M. Döscher, H. Köppel and P. G. Szalay
    J. Chem. Phys. 117 (2002), 2645−2656
    Multistate vibronic interactions in the benzene radical cation. I. Electronic structure calculations

  862. N. V. Dobrodey, A. I. Streltsov, L. S. Cederbaum, C. Villani and F. Tarantelli
    J. Chem. Phys. 117 (2002), 3533
    Foreign and native coordination effects in core−level spectra of mixed Be−Mg clusters

  863. N. V. Dobrodey, A. I. Streltsov and L. S. Cederbaum
    Phys. Rev. A 65 (2002), 23203
    Strong interatomic effects accompanying core ionization of atomic clusters

  864. N. V. Dobrodey, A. I. Streltsov and L. S. Cederbaum
    Phys. Rev. A 65 (2002), 22501
    Core ionized states and spectra of Be and Mg dimers

  865. N. V. Dobrodey, A. I. Streltsov, L. S. Cederbaum, C. Villani and F. Tarantelli
    Phys. Rev. B 66 (2002), 165103
    Strong charge−transfer effects in the Mg2p−1 core−level spectrum of MgB2

  866. V. Brems, T. Beyer, B. M. Nestmann, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 117 (2002), 10635−10647
    Ab initio study of the resonant electron attachment to the F2 molecule

  867. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 65 (2002), 042512
    Magnetically induced anions: Classical dynamics

  868. V. G. Bezchastnov, L. S. Cederbaum and P. Schmelcher
    Phys. Rev. A 65 (2002), 032501
    Magnetically induced anions: Basic theory

  869. W. Becken and P. Schmelcher
    Physical Review A 65 (2002), 033416
    Electromagnetic Transitions of the Helium Atom in Strong Magnetic Fields

  870. I. Baldea and L. S. Cederbaum
    . Phys. Rev. Lett. 89 (2002), 133003
    Orbital picture of ionization and its breakdown in nanoarrays of quantum dots

  871. O. E. Alon and L. S. Cederbaum
    J. Phys. A 35 (2002), L 303
    Scattering from open−shell many−body targets

  872. J. Zobeley, R. Santra and L. S. Cederbaum
    J. Chem. Phys. 115 (2001), 5076
    Electronic decay in weakly bound heteroclusters: Energy transfer versus electron transfer

  873. G. A. Worth and L. S. Cederbaum
    Chem. Phys. Lett. 348 (2001), 477
    Electron transfer along a conjugated chain: the allene radical cation

  874. G. A. Worth and L. S. Cederbaum
    Chem. Phys. Lett. 338 (2001), 219
    Mediation of ultrafast electron transfer in biological systems by conical intersections

  875. A. B. Trofimov, J. Schirmer, D. M. P. Holland, L. Karlsson, R. Maripuu, K. Siegbahn and A. W. Potts
    Chem. Phys. 263 (2001), 167
    An experimental and theoretical study of the valence shell photoelectron spectra of thiophene, 2−chlorothiophene and 3−chlorothiophene

  876. A. B. Trofimov, T. E. Moskovskaya, E. V. Gromov, H. Köppel and J. Schirmer
    Phys. Rev. A 64 (2001), 022504
    Theoretical study of K−shell excitations in formaldehyde

  877. S. Sukiasyan and H.−D. Meyer
    J. Phys. Chem. A 105 (2001), 2604−2611
    On the effect of initial rotation on reactivity. A multi−configuration time−dependent Hartree (MCTDH) wave−packet propagation study on the H+D2 and D+H2 reactive scattering systems.

  878. T. Sommerfeld
    Computer Phys. Comm. 2 (2001), 677
    Electron−induced chemistry of 5−Chlorouracil

  879. T. Sommerfeld
    PCCP 3 (2001), 2394
    FCN and FNC radical anions

  880. T. Sommerfeld and R. Santra
    Int. J. Quant. Chem. 82 (2001), 218
    An efficient method to perform CAP/CI calculations for temporary anions

  881. R. Schork and H. Köppel
    Phys. Chem. Chem. Phys. 3 (2001), 891−894
    Theoretical investigation of the photoelectron spectra of the vinylidene anions

  882. R. Schork and H. Köppel
    J. Chem. Phys. 115 (2001), 7907−7923
    Barrier recrossing in the vinylidene−acetylene isomerization reaction: A five−dimensional ab initio quantum dynamical investigation

  883. P. Schmelcher
    Physical Review A 64 (2001), 063412
    Giant Dipole States of Multi−Electron Atoms in Crossed Fields

  884. P. Schmelcher, T. Detmer and L. S. Cederbaum
    Phys. Rev. A 64 (2001), 023410
    Excited states of the hydrogen molecule in magnetic fields: The triplet states of the parallel configuration

  885. J. Schirmer and A. Thiel
    J. Chem. Phys. 115 (2001), 10621
    An intermediate state representation approach to K−shell ionization in molecules. I. Theory

  886. R. Santra and L. S. Cederbaum
    J. Chem. Phys. 115 (2001), 6853
    An efficient combination of computational techniques for investigating electronic resonance states in molecules

  887. R. Santra, J. Zobeley, L. S. Cederbaum and F. Tarantelli
    J. Electr. Spetr. Relat. Phen. 114 (2001), 41
    Intermolecular Coulombic decay of clusters

  888. R. Santra, J. Zobely and L. S. Cederbaum
    Phys. Rev. B 64 (2001), 245104
    Electronic decay of valence holes in clusters and condensed matter

  889. A. W. Potts, A. B. Trofimov, J. Schirmer, D. M. P. Holland and L. Karlsson
    Chem. Phys. 271 (2001), 337
    An experimental and theoretical study of the valence shell photoelectron spectra of 2−bromothiophene and 3−bromothiophene

  890. D. Pingel, P. Schmelcher and F. K. Diakonos
    Physical Review E 64 (2001), 026214
    Detecting Unstable Periodic Orbits in Chaotic Continuous−Time Dynamical Systems

  891. B. Monozon and P. Schmelcher
    Superlattices and Microstructures 29 (2001), 379
    Decay of Charged Complexes in Quasi−2D Semiconductor Structures in the Presence of Electric Fields

  892. B. Monozon and P. Schmelcher
    Journal of Physics: Condensed Matter 13 (2001), 3727
    Charged Donor in a Narrow Quantum Well in the Presence of in Plane Crossed Magnetic and Electric Fields

  893. N. Moiseyev, R. Santra, J. Zobeley and L. S. Cederbaum
    J. Chem. Phys. 114 (2001), 7351
    Fingerprints of the nodal structure of autoionizating vibrational wave functions in clusters: Interatomic Coulombic decay in Ne dimer

  894. K. Malsch, G. Hohlneicher, R. Schork and H. Köppel
    Phys. Chem. Chem. Phys. 3 (2001), 5393−5407
    A quantum dynamical investigation of the vibronic structure of singlet and triplet spectra of acetylene

  895. S. Mahapatra, G. A. Worth, H. −D. Meyer, L. S. Cederbaum and H. Köppel
    J. Phys. Chem. A 105 (2001), 5567−5576
    The A2E B2B2 photoelectron bands of allene beyond the linear coupling scheme: An ab initio dynamical study including all fifteen vibrational modes

  896. S. Mahapatra, H. Köppel and L. S. Cederbaum
    J. Phys. Chem. A 105 (2001), 2321
    Reactive scattering dynamics on conically intersecting potential energy surfaces: The H+H2 exchange reaction

  897. H. Köppel, J. Gronki and S. Mahapatra
    J. Chem. Phys. 115 (2001), 2377−2388
    Construction scheme for regularized diabatic states

  898. S. Jordan, P. Schmelcher and W. Becken
    Astronomy and Astrophysics 376 (2001), 614
    Stationary Components of He I in Strong Magnetic Fields − a Tool to Identify Magnetic DB White Dwarfs

  899. M. V. Ivanov and P. Schmelcher
    Advances in Quantum Chemistry 40 (2001), 361
    Finite−Difference Calculations for Atoms and Diatomic Molecules in Strong Magnetic and Static Electric Fields

  900. M. V. Ivanov and P. Schmelcher
    European Physical Journal D 14 (2001), 279
    The Beryllium Atom and Beryllium Positive Ion in Strong Magnetic Fields

  901. M. V. Ivanov and P. Schmelcher
    Journal of Physics B 34 (2001), 2031
    The Boron Atom and Boron Positive Ion in Strong Magnetic Fields

  902. M.−C. Heitz and H.−D. Meyer
    J. Chem. Phys. 114 (2001), 1382−1392
    Rotational and diffractive inelastic scattering of a diatom on a corrugated surface: A multiconfiguration time−dependent Hartree (MCTDH) study on N2/LiF(001)

  903. F. Gatti, M. H. Beck, G. A. Worth and H.−D. Meyer
    PCCP 3 (2001), 1576−1582
    A hybrid approach of the multi−configuration time−dependent Hartree and filter−diagonalisation methods for computing bound−state spectra. Application to HO2.

  904. A. Dreuw and L. S. Cederbaum
    J. Phys. Chem. A 105 (2001), 10577
    Electron emission from N(BF3)43− hindered by a sphere of negative charges

  905. A. Dreuw and L. S. Cederbaum
    Phys. Rev. A 63 (2001), 049904
    Nature of the repulsive Coulomb barrier in multiply charged negative ions

  906. A. Dreuw and L. S. Cederbaum
    Phys. Rev. A 63 (2001), 012501
    Nature of the repulsive Coulomb barrier in multiply charged negative ions

  907. N. Dobrodey, A. I. Streltsov and L. S. Cederbaum
    Chem. Phys. Lett. 339 (2001), 263
    Interatomic response to core ionization of atomic clusters

  908. M. S. Deleuze, A. B. Trofimov and L. S. Cederbaum
    J. Chem. Phys. 115 (2001), 5859
    Valence one−electron and shake−up ionization bands of polycyclic aromatic hydrocarbons: Benzene, naphthalene, anthracene, naphthacene and pentacene

  909. L. S. Cederbaum
    Ann. Phys. (N.Y.) 291 (2001), 169
    Optical potential and propagators for elastic and inelastic scattering from many−body targets

  910. Chr. Cattarius, G. A. Worth, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 115 (2001), 2088−2100
    All mode dynamics at the conical intersection of an octa−atomic molecule: Multi−configuration time−dependent Hartree MCTDH investigation on the butatriene cation

  911. I. Burghardt and L. S. Cederbaum
    J. Chem. Phys. 115 (2001), 10312
    Hydrodynamic equations for mixed quantum states. II. Coupled electronic states

  912. I. Burghardt and L. S. Cederbaum
    J. Chem. Phys. 115 (2001), 10303
    Hydrodynamic equations for mixed quantum states. I. General formulation

  913. J. Brand and L. S. Cederbaum
    Adv. Quant. Chem. 38 (2001), 65
    Theory of extended two−particle Green's functions

  914. V. G. Bezchastnov, L. S. Cederbaum and P. Schmelcher
    Phys. Rev. Lett. 86 (2001), 5450
    Stability of negatively charged ions moving in magnetic field

  915. M. H. Beck and H.−D. Meyer
    J. Chem. Phys. 114 (2001), 2036−2046
    Efficiently computing bound−state spectra: A hybrid approach of the multi−configuration time−dependent Hartree and filter−diagonalization methods.

  916. W. Becken and P. Schmelcher
    Physical Review A 63 (2001), 053412
    Higher Angular Momentum States of the Helium Atom in a Strong Magnetic Field

  917. I. Baldea, H. Köppel and L. S. Cederbaum
    Synthetic Metals 119 (2001), 561
    Tunneling−driven quantum phase transitions in mesoscopic commensurate systems

  918. I. Baldea, H. Köppel and L. S. Cederbaum
    Eur. Phys. J. B 20 (2001), 289
    Collective quantum tunneling of strongly correlated electrons in commensurate mesoscopic rings

  919. I. Baldea, H. Köppel and L. S. Cederbaum
    Phys. Rev. B 63 (2001), 155308
    Symmetry−adapted BCS−type trial wave functions for mesoscopic rings

  920. P. Winkler and L. S. Cederbaum
    Phys. Rev. A 61 (2000), 52701
    Inelastic propagators for nonelectronic−projectile − electronic−target interactions: Analysis of the leading contributions

  921. A. B. Trofimov, E. V. Gromov, T. E. Moskovskaya and J. Schirmer
    J. Chem. Phys. 113 (2000), 6716
    Theoretical evidence for a bound doubly−excited 1B2(C1s,n→π*2) state in H2CO below the C1s ionization threshold

  922. T. Sommerfeld
    Phys. Rev. Lett. 85 (2000), 956
    On resonance states of atomic di−anions

  923. T. Sommerfeld
    J. Phys. Chem. A 104 (2000), 8806
    Lifetimes of metastable dianions: CN22−, C42−, and CO32−

  924. T. Sommerfeld, F. Tarantelli, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 112 (2000), 6635−6642
    Ab inito calculation of energies and lifetimes of metastable dianions: The C2−2 resonance.

  925. T. Sommerfeld and F. Tarantelli
    J. Chem. Phys. 112 (2000), 2106
    Subspace Iteration Techniques for the Calculation of Resonances using Complex Symmetric Hamiltonians

  926. R. Schork and H. Köppel
    Chem. Phys. Lett. 326 (2000), 277−282
    Unexpected stability of vinylidene from 5D ab initio quantum−dynamical calculations

  927. P. Schmelcher, T. Detmer and L. S. Cederbaum
    Phys. Rev. A 61 (2000), 43411
    Excited states of the hydrogen molecule in magnetic fields: The singlet Σ states of the parallel configuration

  928. P. Schmelcher and L. S. Cederbaum
    Comments on Atomic and Molecular Physics D2 (2000), 123
    Magnetic field induced two−body phenomena in atoms

  929. R. Santra, J. Breidbach, J. Zobeley and L. S. Cederbaum
    J. Chem. Phys. 112 (2000), 9243
    Parallel filter diagnonalization: A novel method to resolve quantum states in dense spectral regions

  930. R. Santra, J. Zobeley, L. S. Cederbaum and N. Moiseyev
    Phys. Rev. Lett. 85 (2000), 4490
    Interatomic Coulombic decay in van der Waals clusters and impact of nuclear dynamics

  931. R. Santra, J. Zobeley and L. S. Cederbaum
    Chem. Phys. Lett. 324 (2000), 416
    Inner−valence ionization of molecular anions and ultrafast relaxation by electron emission

  932. A. Raab and H.−D. Meyer
    Theor. Chem. Acc. 104 (2000), 358−369
    Multiconfigurational expansions of density operators: equations of motion and their properties

  933. A. Raab and H.−D. Meyer
    J. Chem. Phys. 112 (2000), 10718−10729
    A numerical study on the performance of the multiconfiguration time−dependent Hartree method for density operators.

  934. D. Pingel, P. Schmelcher, F. K. Diakonos and O. Biham
    Physical Review E 62 (2000), 2119
    Theory and Applications of the Systematic Detection of Unstable Periodic Orbits in Dynamical Systems

  935. V. S. Melezhik and P. Schmelcher
    Physical Review Letters 84 (2000), 1870
    Quantum Energy Flow in Atomic Ions Moving in Magnetic Fields

  936. S. A. Malinovskaya and L. S. Cederbaum
    Int. J. Quant. Chem. 80 (2000), 950
    The role of coherence and time in the mechanism of dynamical symmetry breaking and localization

  937. S. A. Malinovskaya and L. S. Cederbaum
    Phys. Rev. A 61 (2000), 42706
    Violation of electronic optical selection rules in X−ray emission by nuclear dynamics: Time−dependent formulation

  938. S. Mahapatra, H. Köppel, L. S. Cederbaum, P. Stampfuß and W. Wenzel
    Chem. Phys. 259 (2000), 211−226
    Nonadiabatic wave packet dynamics on the coupled X2A1/A2B2 electronic states of NO2 based on new ab initio potential energy surfaces

  939. H. Köppel, M. Döscher and S. Mahapatra
    Int. J. Quant. Chem. 80 (2000), 942−949
    Femtosecond wavepacket dynamics on strongly coupled potential energy surfaces

  940. M. V. Ivanov and P. Schmelcher
    Physical Review A 61 (2000), 022505
    Ground States of the Atoms H, He,..., Ne and their Singly Positive Ions in Strong Magnetic Fields: The High Field Regime

  941. U. Höper, P. Botschwina and H. Köppel
    J. Chem. Phys. 112 (2000), 4132−4142
    Theoretical study of the Jahn−Teller effect in X2E CH3O

  942. D. M. P. Holland, D. A. Shaw, L. Karlsson, L. G. Shpinkova, L. Cooper, A. B. Trofimov and J. Schirmer
    Molecular Phys. 98 (2000), 1939
    An experimental and theoretical investigation of the valence shell photoelectron spectrum of cyanogen chloride

  943. A. Dreuw and L. S. Cederbaum
    J. Chem. Phys. 112 (2000), 7400
    Tunneling lifetimes of metastable and binding properties of stable covalent BeCn2− (n=4,6) dianions

  944. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. B 61 (2000), 7336
    Local and nonlocal effects in the core ionization of metal−molecule adsorbates and cluster systems

  945. F. K. Diakonos, D. Pingel and P. Schmelcher
    Physical Review E 62 (2000), 4413
    Analyzing Lyapunov Spectra of Chaotic Dynamical Systems

  946. M. S. Deleuze, M. G. Giuffreda, J.−P. Francois and L. S. Cederbaum
    J. Chem. Phys. 112 (2000), 5325
    Valence one−electron and shake−up ionization bands of carbon clusters. II. The Cn (n = 4,6,8,10) rings

  947. M. S. Deleuze, M. G. Giuffreda, J.−P. Francois and L. S. Cederbaum
    J. Phys. Chem. A 104 (2000), 1130
    Ionization bands and electron affinities of mixed boron−nitrogen BnCn clusters (n = 3,4,5)

  948. M. Cizek, J. Horacek and H.−D. Meyer
    Computer Phys. Comm. 131 (2000), 41−51
    Schwinger−Lanczos algorithm for calculating off−shell T−matrix elements and Wynn's epsilon algorithm.

  949. L. S. Cederbaum
    Phys. Rev. Lett. 85 (2000), 3072
    Optical Potentials for inelastic scattering from many−body targets

  950. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 61 (2000), 52512
    Bound states of negatively charged ions induced by a magnetic field

  951. W. Becken and P. Schmelcher
    Journal of Physics B 33 (2000), 545
    Nonzero Angular Momentum States of the Helium Atom in Strong Magnetic Fields

  952. W. Becken and P. Schmelcher
    Journal of Computational and Applied Mathematics 126 (2000), 449
    The Analytical Continuation of the Gaussian Hypergeometric Function 2F1(a,b;c;z) for Arbitrary Parameters

  953. M. H. Beck, A. Jäckle, G. A. Worth and H.−D. Meyer
    Physics Reports 324 (2000), 1−105
    The multiconfiguration time−dependent Hartree (MCTDH) method: A highly efficient algorithm for propagating wavepackets.

  954. I. Baldea, H. Köppel and L. S. Cederbaum
    Solid State Comm. 115 (2000), 593−597
    Tunneling−driven quantum phase transitions in mesoscopic commensurate systems of strongly correlated electrons

  955. N. F. Allard, J. Kielkopf, I. Drira and P. Schmelcher
    European Physical Journal D 12 (2000), 263
    Collision−Induced Satellite in Lyman Profile Due to H−H Collisions

  956. O.−A. Al−Hujaj and P. Schmelcher
    Physical Review A 61 (2000), 063413
    Ground and Excited States of the Hydrogen Negative Ion in Strong Magnetic Fields

  957. J. Zobeley, L. S. Cederbaum and F. Tarantelli
    J. Phys. Chem. A 103 (1999), 11145
    Intermolecular Coulombic decay of molecular clusters: Identification of the decay mechanism using a new hole−population analysis

  958. G. A. Worth, H.−D. Meyer and L. S. Cederbaum
    Chem. Phys. Lett. 299 (1999), 451
    State filtering by a bath: up to 24 mode numerically exact wave packet propagations

  959. A. B. Trofimov, G. Stelter and J. Schirmer
    J. Chem. Phys. 111 (1999), 9982−9999
    A consistent third−order propagator method for electronic excitation.

  960. A. Thiel and H. Köppel
    J. Chem. Phys. 110 (1999), 9371−9383
    Proposal and numerical test of a simple diabatization scheme.

  961. T. Sommerfeld
    Chem. Phys. Lett. 304 (1999), 98
    On Long−lived HCCH States

  962. H. −D. Schulte, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. A 60 (1999), 2047
    Valence−hole localization in core−valence doubly ionized states of ionic molecules and its impact on KLV Auger spectroscopy

  963. J. Schön and H. Köppel
    J. Phys. Chem. 103 (1999), 8579−8584
    Excitation of pseudorotational vibronic motion through fs pump−probe spectroscopy: a 2D computational study

  964. P. Schmelcher, M. V. Ivanov and W. Becken
    Phys. Rev. A. 59 (1999), 3424
    Exchange and Correlation Energies of Atoms and Molecules in Strong Magnetic Fields.

  965. R. Santra, L. S. Cederbaum and H.−D. Meyer
    Chem. Phys. Lett. 303 (1999), 413
    Electronic decay of molecular clusters: non stationary states by standard quantum chemistry methods

  966. A. Raab, G. A. Worth, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 110 (1999), 936−946
    Molecular dynamics of pyrazine after excitation to the S2 electronic state using a realistic 24−mode model hamiltonian.

  967. A. Raab, I. Burghardt and H.−D. Meyer
    J. Chem. Phys. 111 (1999), 8759
    The multiconfiguration time−dependent Hartree method generalized to the propagation of density operators.

  968. D. Pingel, P. Schmelcher and F. K. Diakonos
    CHAOS 9 (1999), 357
    General Theory and Examples of the Inverse Frobenius−Perron Problem.

  969. E. Pahl, J. Brand, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. A 60 (1999), 1079
    Impact of narow−band excitation on resonant decay spectra

  970. E. Pahl, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. A 60 (1999), 1070
    Resonant decay spectra for energetically unselective excitation exemplified by the broadband resonant Auger spectrum of HF

  971. B. S. Monozon and P. Schmelcher
    Superlattices and Microstructures 26 (1999), 229
    An Exciton in a Quantum Well in the Presence of Crossed Electric and Strong Magnetic Fields

  972. N. Moiseyev and L. S. Cederbaum
    J. Phys. B 32 (1999), L279
    Suppression of electron correlation and of autoionization by strong laser fields

  973. V. S. Melezhik and P. Schmelcher
    Phys. Rev. A. 59 (1999), 4264
    Magnetic Field Stimulated Transitions of Excited States in Fast Muonic Helium Ions.

  974. V. S. Melezhik and P. Schmelcher
    Hyperfine Interactions 119 (1999), 147
    Magnetic Field Stimulated Transitions of Excited States in Fast Muonic Helium Ions

  975. S. Mahapatra, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 110 (1999), 5691−5701
    Impact of nonadiabatic coupling between the conically intersecting X2A1 and A2B2 states of NO2 on the negative ion photoelectron spectra of NO2.

  976. S. Mahapatra and H. Köppel
    Chem. Phys. Lett. 306 (1999), 387−394
    Semiclassical approch to the Rydberg emission spectra of H3 and its isotopomers.

  977. S. Mahapatra, L. S. Cederbaum and H. Köppel
    J. Chem. Phys. 111 (1999), 10452−10463
    Theoretical investigation of Jahn−Teller and pseudo Jahn−Teller coupling effects on the photoelectron spectrum of allene

  978. A. Jäckle, M.−C. Heitz and H.−D. Meyer
    J. Chem. Phys. 110 (1999), 241−248
    Reaction cross section for the H + D2 (v=0,1) system for collision energies up to 2.5 eV. A multi−configuration time−dependent Hartree (MCTDH) wave packet calculation.

  979. M. V. Ivanov and P. Schmelcher
    Physical Review A 60 (1999), 3558
    The Ground State of the Carbon Atom in Strong Magnetic Fields

  980. M. Ingr, H.−D. Meyer and L. S. Cederbaum
    J. Phys. B. 32 (1999), L547
    Potential energy curve of the X2Σu+ resonance state of F2 computed by CAP/CI.

  981. A. Golod, M. S. Deleuze and L. S. Cederbaum
    J. Chem. Phys. 110 (1999), 6014
    Valence correlation bands of model oligomers of polyethylene: A Green's function study by the band−Lanczos approach

  982. Dreuw and L. S. Cederbaum
    J. Phys. B 32 (1999), L 665
    Long−lived high−spin states of CO2−: loosely bound complexes between C− and O2

  983. A. Dreuw and L. S. Cederbaum
    Phys. Rev. A 59 (1999), 2702
    Long−lived high−spin states of small anions: 6Π state of CO.

  984. A. Dreuw and L. S. Cederbaum
    Int. J. Mass Spec. 188 (1999), 199−204
    Long−lived high−spin sextet states of N2

  985. A. Dreuw and L. S. Cederbaum
    J. Chem. Phys. 111 (1999), 1467
    Anions made of cations and dianions: [CsC9]7]

  986. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    J. Phys. Chem. A 102 (1999), 9405
    Theoretical evidence for delocalized inequivalent core holes

  987. N. Dobrodey, H. Köppel and L. S. Cederbaum
    Phys. Rev. A 60 (1999), 1988−1998
    Vibrational structure of the O1s ionization spectrum of CO2

  988. F. K. Diakonos, D. Pingel and P. Schmelcher
    Physics Letters A 264 (1999), 162
    A Stochastic Approach to the Construction of One−Dimensional Chaotic Maps with Prescribed Statistical Properties

  989. M. S. Deleuze and L. S. Cederbaum
    Adv. Quant. Chem. 35 (1999), 77
    The new challenges of the theory of ionization for polymers and solids

  990. M. S. Deleuze, M. G. Giuffreda, J.−P. Francois and L. S. Cederbaum
    J. Chem. Phys. 111 (1999), 5851
    Valence one−electron and shake−up ionization bands of carbon clusters. I. The Cn (n = 3,5,7,9) chains

  991. L. S. Cederbaum and J. Zobeley
    Chem. Phys. Lett. 307 (1999), 205
    Ultrafast charge migration by electron correlation

  992. I. Burghardt, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 111 (1999), 2927
    Approaches to the approximate treatment of complex molecular systems by the multiconfiguration time−dependent Hartree method

  993. J. Brand, L. S. Cederbaum and H.−D. Meyer
    Phys. Rev. A 60 (1999), 2983
    Dynamical Green's function and an exact optical potential for electron−molecule scattering including nuclear dynamics

  994. W. Becken, P. Schmelcher and F. K. Diakonos
    Journal of Physics B 32 (1999), 1557
    The Helium Atom in a Strong Magnetic Field

  995. I. Baldea, H. Köppel and L. S. Cederbaum
    Phys. Rev. B 60 (1999), 6646−6654
    Structural and magnetic transitions in ensembles of mesoscopic Peierls rings in a magnetic flux

  996. I. Baldea, H. Köppel and L. S. Cederbaum
    Synthetic Metals 101 (1999), 394
    Structural change in mesoscopic Peierls chains

  997. I. Baldea, H. Köppel and L. S. Cederbaum
    J. Phys. Soc. Japan 68 (1999), 1954−1962
    Quantum phonon fluctuations in mesoscopic dimerized systems

  998. V. Averbukh, N. Moiseyev, P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 59 (1999), 3695
    Transition from Rydberg to giant−dipole−moment states of hydrogen atoms in crossed fields: A suggestion for an experiment

  999. H. Köppel and W. Domke
    in: Encyclopedia of computational chemistry, ed. P.v.R Schleyer, Wiley, (1998)
    Vibronic dynamics in polyatomic molecules

  1000. J. Zobeley, L. S. Cederbaum and F. Tarantelli
    J. Chem. Phys. 108 (1998), 9737
    Highly excited electronic states of molecular clusters and their decay

  1001. G. A. Worth, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 109 (1998), 3518
    Relaxation of a system with a conical intersection coupled to a bath: A benchmark 24−dimensional wave packet study treating the environment explicitly

  1002. A. B. Trofimov, H. Köppel and J. Schirmer
    J. Chem. Phys. 109 (1998), 1025−1040
    Vibronic structure of the valence π−photoelectron bands in furan, pyrrole and thiophene.

  1003. T. Sommerfeld, U. V. Riss, H.−D. Meyer, L. S. Cederbaum, B. Engels and H. U. Suter
    J. Phys. B 31 (1998), 4107
    Temporary anions − calculations of energy and life time by absorbing potentials: The N2 2Πg shape resonance

  1004. T. Sommerfeld and L. S. Cederbaum
    Pys. Rev. Lett. 80 (1998), 3723
    Long−lived states of N2.

  1005. J. Shertzer, J. Ackermann and P. Schmelcher
    Phys. Rev. A 58 (1998), 1129
    Positronium in Crossed Electric and Magnetic Fields: The Existence of a Long−Lived Ground State.

  1006. R. Schork and H. Köppel
    Theoretical Chemistry Accounts 100 (1998), 204−211
    Ab initio quantum dynamical study of the vinylidene−acetylene isomerization.

  1007. J. Schön and H. Köppel
    J. Chem. Phys. 108 (1998), 1503−1515
    Geometric phases and quantum dynamics in spin−orbit coupled systems.

  1008. P. Schmelcher
    Int. J. Quant. Chem. 70 (1998), 789
    On the Ground States of Atoms and Molecules in Strong Magnetic Fields.

  1009. P. Schmelcher and F. K. Diakonos
    Phys. Rev. E 57 (1998), 2739
    A general approach to the finding of Unstable Periodic Orbits in Chaotic Dynamical Systems.

  1010. P. Schmelcher, J. Ackermann and J. Shertzer
    Nuclear Instruments and Methods − Section B 143 (1998), 202
    Stabilization of Matter−Antimatter Atoms in Crossed Electric and Magnetic Fields.

  1011. J. Schirmer, A. B. Trofimov and G. Stelter
    J. Chem. Phys. 109 (1998), 4734
    A non−Dyson third−order approximation scheme for the electron propagator.

  1012. U. V. Riss and H.−D. Meyer
    J. Phys. B 31 (1998), 2279−2304
    The transformative complex absorbing potential method: A bridge between complex absorbing potentials and smooth exterior scaling.

  1013. D. Pingel, P. Schmelcher and F. K. Diakonos
    Phys. Rev. E 58 (1998), 369
    Analytical Solutions to One−Dimensional Dissipative and Discrete Chaotic Dynamics.

  1014. E. Pahl, L. S. Cederbaum, H.−D. Meyer and F. Tarantelli
    Phys. Rev. Lett. 80 (1998), 1865
    Controlled interplay between decay and fragmentation in resonant Auger processes

  1015. E. Pahl, H.−D. Meyer, L. S. Cederbaum and F. Tarantelli
    J. Electr. Spectr. Relat. Phen. 93 (1998), 17
    Theory of wave packet dynamics: resonant Auger spectrum of HF

  1016. H.−D. Meyer, G. A. Worth and J.−Y. Fang
    J. Chem. Phys. 109 (1998), 349
    Comment on ``Generalization of the multiconfigurational time−dependent Hartree method to nonadiabatic systems'' [J. Chem. Phys. 105, 9191 (1996)]

  1017. H.−D. Meyer
    in: The Encyclopedia of Computational Chemistry, ed. P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III and P. R. Schreiner, John Wiley and Sons, Chichester (1998)
    Multiconfiguration time−dependent Hartree method

  1018. S. Mahapatra and H. Köppel
    Phys. Rev. Lett. 81 (1998), 3116−3119
    Quantum mechanical study of optical emission spectra of Rydberg−excited H3 and its isotopomers

  1019. S. Mahapatra and H. Köppel
    J. Chem. Phys. 109 (1998), 1721−1733
    Spectra and time−dependent dynamics of H3 near the conical intersection in the (2p)1E' ground electronic manifold.

  1020. D. M. Leitner and P. Schmelcher
    Rapid Communications Physical Review A 58 (1998), R3383
    Mesoscopic Motion of Atomic Ions in Magnetic Fields.

  1021. S. Jordan, P. Schmelcher, W. Becken and W. Schweizer
    Astronomy and Astrophysics 336 (1998), L33−L36
    Evidence for Helium in the Magnetic White Dwarf GD229.

  1022. A. Jäckle and H.−D. Meyer
    J. Chem. Phys. 109 (1998), 3772−3779
    Product representation of potential energy surfaces II.

  1023. A. Jäckle and H.−D. Meyer
    J. Chem. Phys. 109 (1998), 2614−2623
    Calculation of H+H2 and H+D2 reaction probabilities within the multiconfiguration time−dependent Hartree approach employing an adiabatic correction scheme.

  1024. M. V. Ivanov and P. Schmelcher
    Phy. Rev. A 57 (1998), 3793
    The Ground State of the Lithium Atom in Strong Magnetic Fields.

  1025. A. Dreuw, T. Sommerfeld and L. S. Cederbaum
    Theor. Chem. Acc. 100 (1998), 60
    Possible long−lived quartet resonance states of CO

  1026. A. Dreuw, T. Sommerfeld and L. S. Cederbaum
    J. Chem. Phys. 109 (1998), 2727
    Mixed silicon−carbon dianions and their stability in the gas phase

  1027. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    J. Phys. Chem. A 102 (1998), 9405
    Theoretical evidence for delocalized inequivalent core holes

  1028. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. B 57 (1998), 7340
    Dynamical screening in weak chemisorption systems

  1029. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Surface Science 402 (1998), 508
    Strong dynamical screening in weak chemisorption systems

  1030. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. B 58 (1998), 2316
    Partial localization of core holes in nonsymmetrical systems

  1031. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. B 57 (1998), 1998−7340
    Dynamical screening in weak chmisorption systems.

  1032. F. K. Diakonos, P. Schmelcher and O. Biham
    Phy. Rev. Lett. 81 (1998), 4349
    Systematic Computation of the Least Unstable Periodic Orbits in Chaotic Attractors.

  1033. T. Detmer, P. Schmelcher and L. S. Cederbaum
    J. Chem. Phys. 109 (1998), 9694
    Ab initio calculations with a nonspherical Gaussian basis set: Excited states of the hydrogen molecule

  1034. T. Detmer, P. Schmelcher, F. K. Diakonos and L. S. Cederbaum
    in: Atoms and Molecules in Strong External Fields, ed. P. Schmelcher and W. Schweizer, Plenum Press, New York (1998)
    Hydrogen molecule in magnetic fields: On excited sigma states of the parallel configuration

  1035. T. Detmer, P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 57 (1998), 1767
    The hydrogen molecule in a magnetic field: The lowest states of the pi manifold and the global ground state of the parallel configuration.

  1036. M. S. Deleuze and L. S. Cederbaum
    in: Polymer−Solid Interfaces: from Models to Real Systems, ed. J. H. Pireaux, J. Delhalle and P. Rudolf, Presses Universitaires de Namur, Namur (1998)
    On the adequacy of the one−particle picture of ionization for polymers

  1037. L. S. Cederbaum and P. Schmelcher
    in: Atoms and Molecules in Strong External Fields, ed. P. Schmelcher and W. Schweizer, Plenum Press, New York (1998)
    Neutral two−body systems of charged particles in external fields

  1038. L. S. Cederbaum
    in: The Encyclopedia of Computational Chemistry, ed. P. v. R. Schleyer, N. L. Allinger, T. Clask, J. Gasteiger, P. A. Kollmann, H. F. Schaefer III and P. R. Schreiner, Wiley, Chichester (1998)
    Green's functions and propagators for chemistry

  1039. J. Brand and L. S. Cederbaum
    Phys. Rev. A 57 (1998), 4311
    First order static excitation potential: Scheme for excitation energies and transition moments

  1040. V. Berghof, T. Sommerfeld and L. S. Cederbaum
    J. Phys. Chem. A 102 (1998), 5100
    Sulfur cluster dianions

  1041. M. H. Beck and H.−D. Meyer
    J. Chem. Phys. 109 (1998), 3730−3741
    Extracting accurate bound−state spectra from approximate wave packet propagation using the filter−diagonalization method.

  1042. I. Baldea, H. Köppel and L. S. Cederbaum
    Solid State Communications 106 (1998), 733
    How small can a Peierls dimerized chain be?

  1043. I. Baldea, H. Köppel and L. S. Cederbaum
    Solid State Commun. 108 (1998), 607
    Interplay between dia− and paramagnetism in ensembles of mesoscopic Peierls rings in a magnetic flux

  1044. I. Baldea, H. Köppel and L. S. Cederbaum
    Eur. Phys. J. B 3 (1998), 507
    The smooth structural change in mesoscopic Peierls chains

  1045. A. B. Trofimov and J. Schirmer
    Chem. Phys. 224 (1997), 175
    Polarization propagator study of electronic excitation in key heterocyclic molecules II. Furan.

  1046. A. B. Trofimov and J. Schirmer
    Chem. Phys. 214 (1997), 153−170
    Polarization propagator study of electronic excitation in key heterocyclic molecules. I. Pyrrole.

  1047. T. Sommerfeld, U. V. Riss, H.−D. Meyer and L. S. Cederbaum
    Phys. Rev. A 55 (1997), 1903
    Evidence for a metastable state of the fundamental dianion H2−

  1048. T. Sommerfeld, U. V. Riss, H.−D. Meyer and L. S. Cederbaum
    Phys. Rev. Lett. 79 (1997), 1237
    Metastable C22− dianion

  1049. P. Schmelcher
    Int. J. Quant. Chem. 64 (1997), 553
    Exploring the Topology of the Potential Energy Surfaces of the H2+−Ion in the Presence of a Strong Magnetic Field.

  1050. P. Schmelcher and L. S. Cederbaum
    Int. J. Quantum Chem. 64 (1997), 501
    Molecules in strong magnetic fields: some perspectives and general aspects

  1051. P. Schmelcher and F. K. Diakonos
    Phys. Rev. Lett. 78 (1997), 4733
    Detecting Unstable Periodic Orbits in Chaotic Dynamical Systems.

  1052. P. Schmelcher and L. S. Cederbaum
    in: Atoms and Molecules in Intense Fields, ed. L. S. Cederbaum, K. C. Kulander and N. H. March, Springer, Berlin (1997)
    Two Interacting Charged Particles in Strong Magnetic Fields: A Variety of Two−Body Phenomena

  1053. P. Schmelcher and F. K. Diakonos
    International Journal of Bifurcation and Chaos 7 (1997), 2459
    A Turning Point Analysis of the Ergodic Dynamics of Iterative Maps.

  1054. D. Minelli, F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
    J. Chem. Phys. 107 (1997), 6070
    Ab initio simulation of molecular Auger spectra: Nuclear dynamics effects in the spectra of carbonyl sulfide

  1055. F. Mertins, H.−D. Meyer and J. Schirmer
    J. Phys. B 30 (1997), 1691−1720
    Ground state correlation effects in molecular photoionization at the extended frozen−core Hartree−Fock level.

  1056. A. Maderna, H. Pritzkow, W. Siebert, T. Sommerfeld and L. S. Cederbaum
    Z. Naturforsch. 52b (1997), 1315
    Donor−stabilized trisalkinylboranes. Crystal structure of H5C5N−B(CCH)3 and electronic structure of B(CCH)3.

  1057. H. Köppel, F. X. Gadea, G. Klatt, J. Schirmer and L. S. Cederbaum
    J. Chem. Phys. 106 (1997), 4415
    Multistate vibronic coupling effects in the K−shell excitation spectrum of ethylene: Symmetry breaking and core−hole localization.

  1058. H. Köppel
    Z. für Physikal. Chemie 200 (1997), 3−10
    Examples of Jahn−Teller coupling effects in molecular spectroscopy and internal conversion dynamics.

  1059. B. Kempgens, B. S. Itchkawitz, J. Feldhaus, A. M. Bradshaw, H. Köppel, M. Döscher, F. X. Gadea and L. S. Cederbaum
    Chem. Phys. Lett. 277 (1997), 436
    Vibronic coupling in the K−shell excitation of ethyne

  1060. B. Kempgens, H. Köppel, A. Kivimäki, M. Neeb, L. S. Cederbaum and A. M. Bradshaw
    Phys. Rev. Lett. 79 (1997), 3617
    Core level energy splitting in the C1s photoelectron spectrum of C2H2.

  1061. F. X. Gadea, S. Mathieu and L. S. Cederbaum
    J. Mol. Struct. (Theochem) 401 (1997), 15
    A new perspective in X−ray induced organic chemistry: the acetylene example

  1062. A. Dreuw, T. Sommerfeld and L. S. Cederbaum
    Angew. Chem. Int. Ed. Engl. 36 (1997), 1889
    Stable free dianionic silicon−carbon clusters

  1063. M. Döscher and H. Köppel
    Chem. Phys. 225 (1997), 93−105
    Multiple surface intersections and strong nonadiabatic coupling effects between the D2E1u and E2B2u states of C6H6+.

  1064. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Surface Science 379 (1997), 623
    On core−hole screening in chemisorption systems

  1065. F. K. Diakonos and P. Schmelcher
    CHAOS 7 (1997), 239
    Turning Point Properties as a Method for the Characterization of the Ergodic Dynamics of One Dimensional Iterative Maps.

  1066. T. Detmer, P. Schmelcher, F. K. Diakonos and L. S. Cederbaum
    Phys. Rev. A 56 (1997), 1825
    Hydrogen molecule in magnetic fields: The ground states of the Σ manifold of the parallel configuration.

  1067. M. Deleuze and L. S. Cederbaum
    Int. J. Quantum Chem. 63 (1997), 465
    Correlation effects in the valence x−ray photoionization spectra of ethylene, butadiene and hexatriene

  1068. L. S. Cederbaum, J. Zobeley and F. Tarantelli
    Phys. Rev. Lett. 79 (1997), 4778
    Giant intermolecular decay and fragmentation of clusters

  1069. M. H. Beck and H.−D. Meyer
    Z. Phys. D 42 (1997), 113−129
    An efficient and robust integration scheme for the equations of motion of the multiconfiguration time−dependent Hartree (MCTDH) method.

  1070. I. Baldea, H. Köppel and L. S. Cederbaum
    Synthetic Metals 86 (1997), 2221
    Electron−phonon coupling in a one−band MX−chain model. A numerical study.

  1071. I. Baldea, H. Köppel and L. S. Cederbaum
    Phys. Rev. B 55 (1997), 1481
    Finite−size effects and quantum phonon fluctuations in the optical absorption edge of dimerized chains

  1072. J. Ackermann, J. Shertzer and P. Schmelcher
    Phys. Rev. Lett. 78 (1997), 199
    Long−lived states of Positronium in crossed magnetic and electric fields.

  1073. G. A. Worth, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 105 (1996), 4412
    The effect of a model environment on the S2 absorption spectrum of pyrazine: a wave packet study treating all 24 vibrational modes

  1074. H. −G. Weikert, H.−D. Meyer, L. S. Cederbaum and F. Tarantelli
    J. Chem. Phys. 104 (1996), 7122
    Block Lanczos and many−body theory: Application to the one−particle Green's function

  1075. F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
    Can. J. Phys. 74 (1996), 789
    Green's function calculations for doubly ionized molecular states and simulation of Auger spectra

  1076. T. Sommerfeld, U. V. Riss, H.−D. Meyer and L. S. Cederbaum
    Phys. Rev. Lett. 77 (1996), 470
    Evidence for a resonance state of H2−

  1077. T. Sommerfeld, M. K. Scheller and L. S. Cederbaum
    J. Chem. Phys. 104 (1996), 1464
    A new class of free stable doubly negative systems: Three Si2O52− isomers and their interconversion

  1078. H. D. Schulte, L. S. Cederbaum and F. Tarantelli
    J. Chem. Phys. 105 (1996), 11108
    Core−valence doubly ionized states: General aspects, examples, production mechanisms

  1079. J. Schirmer and F. Mertins
    J. Phys. B 29 (1996), 3559−3580
    A new approach to the random phase approximation.

  1080. J. Schirmer and F. Mertins
    Int. J. Quant. Chem. 58 (1996), 329−339
    Size Consistency of an algebraic propagator approach.

  1081. U. V. Riss and H.−D. Meyer
    J. Chem. Phys. 105 (1996), 1409−1419
    Investigation on the reflection and transmission properties of complex absorbing potentials.

  1082. E. Pahl, H.−D. Meyer, L. S. Cederbaum, D. Minelli and F. Tarantelli
    J. Chem. Phys. 105 (1996), 9175
    Adiabatic and nonadiabatic effects of nuclear dynamics in spectra of decaying states: Auger spectrum of HF

  1083. E. Pahl, H.−D. Meyer and L. S. Cederbaum
    Z. Phys. D 38 (1996), 215
    Competition between excitation and electronic decay of short−lived molecular states

  1084. F. Mertins, J. Schirmer and A. Tarantelli
    Phys. Rev. A 53 (1996), 2153−2168
    Algebraic propagator approaches and intermediate−state representations. II. The equation−of−motion methods for N, N±1, N±2 electrons.

  1085. F. Mertins and J. Schirmer
    Phys. Rev. A 53 (1996), 2140−2152
    Algebraic propagator approaches and intermediate−state representations. I. The biorthogonal and unitary coupled−cluster methods.

  1086. M. Mayer, L. S. Cederbaum and H. Köppel
    J. Chem. Phys. 104 (1996), 8932
    Rovibronic coupling in the Na3B system

  1087. M. Mayer and L. S. Cederbaum
    J. Chem. Phys. 105 (1996), 4938
    Molecular rotations in vibronically coupled systems

  1088. D. M. Leitner, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 104 (1996), 434
    Statistical properties of molecular spectra and molecular dynamics: Analysis of their correspondence in NO2 and C2H4+

  1089. U. Kappes and P. Schmelcher
    Phys. Lett. A 210 (1996), 409
    On the topology of adiabatic electronic potential energy surfaces in a strong magnetic field.

  1090. U. Kappes and P. Schmelcher
    Phys. Rev. A 53 (1996), 3869
    Adiabatic Potential Energy Surfaces of the H2+−Ion in a Strong Magnetic Field.

  1091. U. Kappes and P. Schmelcher
    Phys. Rev. A 54 (1996), 1313
    Adiabatic potential energy surfaces for higher excited states of the H2+−ion in a strong magnetic field.

  1092. A. Jäckle and H.−D. Meyer
    J. Chem. Phys. 104 (1996), 7974−7984
    Product representation of potential energy surfaces.

  1093. A. Jäckle and H.−D. Meyer
    J. Chem. Phys. 105 (1996), 6778−6786
    Time−dependent calculation of reactive flux employing complex absorbing potentials: General aspects and application within the multi−configuration time−dependent Hartree approach.

  1094. J. Horacek, F. Gemperle and H.−D. Meyer
    J. Chem. Phys. 104 (1996), 8433
    Calculation of dissociative attachment of electrons to diatomic molecules by the Schwinger−Lanczos approach.

  1095. G. Handke, F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
    J. Chem. Phys. 104 (1996), 9531
    Theoretical investigations of molecular triple ionization spectra

  1096. G. Handke, F. Tarantelli and L. S. Cederbaum
    Phys. Rev. Lett. 76 (1996), 896
    Triple ionization of carbon monoxide

  1097. G. Handke, F. Tarantelli and L. S. Cederbaum
    Chem. Phys. Lett. 251 (1996), 26
    On the calculation of Shake−off satellite contributions to molecular Auger spectra

  1098. F. O. Gottfried, L. S. Cederbaum and F. Tarantelli
    J. Chem. Phys. 104 (1996), 9754
    The Auger spectra of CF4 in the light of foreign imaging

  1099. F. O. Gottfried, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. A 53 (1996), 2118
    Ab initio Block Lanczos calculation of the Auger spectra of SiF4: Strong two−hole localization effects and foreign imaging

  1100. M. Ehara, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 105 (1996), 8865
    Multiconfiguration time−dependent Hartree (MCTDH) study on rotational and diffractive inelastic molecule−surface scattering

  1101. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. B 54 (1996), 10405
    Core hole screening in chemisorption systems: Role of metal−adsorbate π −> π* charge transfer

  1102. F. K. Diakonos and P. Schmelcher
    Phys. Lett. A 211 (1996), 199
    On the construction of one dimensional iterative maps from the invariant density: The dynamical route to the beta distribution.

  1103. M. S. Deleuze and L. S. Cederbaum
    J. Chem. Phys. 105 (1996), 7583
    Evidence for a partial breakdown of the molecular orbital picture in the ionization spectra of large saturated hydrocarbons

  1104. M. S. Deleuze and L. S. Cederbaum
    Phys. Rev. B 53 (1996), 13326
    Formation of satellite bands in the ionization spectra of extended systems

  1105. L. S. Cederbaum
    Few−Body Systems 21 (1996), 211
    Optical potentials for elastic and inelastic scattering of non−electronic projectiles from electronic targets

  1106. J. Brand and L. S. Cederbaum
    Ann. of Phys. (N.Y.) 252 (1996), 276
    Extended two−particle Green's functions and optical potentials for two−particle scattering by many−body targets

  1107. W. Becken and P. Schmelcher
    Phys. Rev. A 54 (1996), 4868
    Highly excited charged two−body systems in a magnetic field: A perturbation theoretical approach to the classical dynamics.

  1108. H. −G. Weikert and L. S. Cederbaum
    Chem. Phys. Lett. 237 (1995), 1
    On the satellite structure accompanying the ionization of benzene

  1109. A. B. Trofimov and J. Schirmer
    J. Phys. B 28 (1995), 2299−2324
    An efficient polarization propagator approach to valence electron excitation spectra.

  1110. F. Tarantelli, L. S. Cederbaum and A. Sgamellotti
    J. Electr. Spectry. 76 (1995), 47
    The ab initio simulation of Auger spectra

  1111. T. Sommerfeld, M. K. Scheller and L. S. Cederbaum
    J. Chem. Phys. 103 (1995), 1057
    A new class of free stable doubly negative systems: First investigations on the SimOn2− series.

  1112. H. D. Schulte and L. S. Cederbaum
    J. Chem. Phys. 103 (1995), 698
    Potential energy surfaces and dynamics in core−ionized and core−excited states

  1113. J. Schön and H. Köppel
    J. Chem. Phys. 103 (1995), 9292−9301
    Geometric phase effects and wave packet dynamics on intersecting potential energy surfaces.

  1114. P. Schmelcher and L. S. Cederbaum
    Phys. Rev. Lett. 74 (1995), 662
    Classical self−ionization of fast atomic ions in magnetic fields

  1115. P. Schmelcher
    Phys. Rev. A 52 (1995), 130
    On the Interaction of the Collective and Electronic Motion of Atomic Ions in Magnetic Fields.

  1116. M. K. Scheller, R. N. Compton and L. S. Cederbaum
    Science 270 (1995), 1160
    Gas−phase multiply charged anions

  1117. U. V. Riss and H.−D. Meyer
    J. Phys. B 28 (1995), 1475
    Reflection−free Complex Absorbing Potentials.

  1118. S. Pal, K. G. Ghose and H.−D. Meyer
    Int. J. Quant. Chem. 55 (1995), 291−297
    Electron correlation effects in target molecule in low−energy e+N2 scattering.

  1119. P. Müller, S. Huck, H. Köppel, H. Pritzkow and W. Siebert
    Z. Naturforsch. 50 (1995), 1476−1484
    Synthese und Strukturen von 9,10−Dihydro−9,10−diboraanthracen−Derivaten.

  1120. D. Minelli, F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
    J. Electr. Spectry. 74 (1995), 1
    Advances in the theoretical simulation of Auger spectra of polyatomic molecules: an example

  1121. M. Yu. Lavrentiev, H. Köppel and L. S. Cederbaum
    Phys. Rev. B 51 (1995), 5790
    Phonons in one−dimensional Peierls systems with internal degrees of freedom

  1122. H. Kutz and H.−D. Meyer
    Phys. Rev. A 51 (1995), 3819−3830
    Rotational Excitation of N2 and Cl2 Molecules by Electron Impact in the Energy Range 0.001−1000 eV: Investigation of Excitation Mechanisms.

  1123. B. Kempgens, B. S. Itchkawitz, K. J. Randall, J. Feldhaus, A. M. Bradshaw, H. Köppel, F. X. Gadea, D. Nordfors, J. Schirmer and L. S. Cederbaum
    Chem. Phys. Lett. 246 (1995), 347
    Dynamic effects in the C1s excitation spectra of ethene isotopomers

  1124. U. Kappes and P. Schmelcher
    Phys. Rev. A 51 (1995), 4542
    On the Electronic Bond Structure of the Hydrogen Molecular Ion in a Strong Magnetic Field: An Extensive Study of the Parallel Configuration.

  1125. A. Jäckle and H.−D. Meyer
    J. Chem. Phys. 102 (1995), 5605−5615
    Reactive scattering using the multiconfiguration time−dependent Hartree approximation: General aspects and application to the collinear H+H2 → H2+H reaction.

  1126. G. Handke, F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
    J. Electr. Spectry. 76 (1995), 307
    Calculating triply ionized states of molecules by Green's functions: Carbon monoxide

  1127. G. Handke, F. Tarantelli, A. Tarantelli and L. S. Cederbaum
    J. Electr. Spectry. 75 (1995), 109
    The ab−initio calculation of very many triply ionized states of molecular systems

  1128. R. F. Gunion, H. Köppel, G. W. Leach and W. C. Lineberger
    J. Chem. Phys. 103 (1995), 1250−1262
    Photoelectron spectroscopy of C4H4; ab initio calculations and dynamics of the 1,2−Hydrogen shift in vinylvinylidene.

  1129. T. Detmer, P. Schmelcher and L. S. Cederbaum
    J. Phys. B 28 (1995), 2903
    Rotation−vibration Hamiltonian for neutral diatomic molecules in magnetic fields: dynamical screening of nuclei

  1130. M. Deleuze, M. K. Scheller and L. S. Cederbaum
    J. Chem. Phys. 103 (1995), 3578
    On the size−dependence of the static self−energy in propagator calculations

  1131. L. S. Cederbaum
    J. Chem. Phys. 103 (1995), 562
    Symmetry breaking and localization in resonant photon emission

  1132. L. S. Cederbaum and F. Tarantelli
    in: Frontiers of Chemical Dynamics, ed. E. Yurtsever, Kluwer, Dordrecht (1995)
    Time−dependent nuclear dynamics of decaying states

  1133. I. Baldea, H. Köppel and L. S. Cederbaum
    Solid State Communications 93 (1995), 817
    Analytical results in CDW systems beyond the strong pinning limit

  1134. I. Baldea, L. S. Cederbaum and H. Köppel
    J. Phys. Soc. Jpn. 64 (1995), 356
    Analytical explanation for numerical simulation results on CDW

  1135. I. Baldea, H. Köppel and L. S. Cederbaum
    Phys. Rev. B 52 (1995), 11845
    Coexistence of short− and large−scale phase variations in a charge−density wave weakly coupled to impurities

  1136. F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
    Phys. Rev. Lett. 72 (1994), 428
    Aggregation state effects in Auger spectroscopy: The fluorine KLL spectrum of KF

  1137. A. Tarantelli and L. S. Cederbaum
    Phys. Rev. A 49 (1994), 3407
    Consistency of approximation schemes in many−body theory

  1138. F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
    J. Electr. Spectry. 68 (1994), 297
    The calculation of molecular Auger spectra

  1139. T. Sommerfeld, M. K. Scheller and L. S. Cederbaum
    J. Phys. Chem. 98 (1994), 8914
    Small dicationic carbon clusters: General aspects on their stability and results of C92−.

  1140. R. Skodje, R. Sadeghi, H. Köppel and J. Krause
    J. Chem. Phys. 101 (1994), 1725−1729
    Spectral quantization of transition state dynamics for the three−dimensional H+H2 reaction.

  1141. J. Schön and H. Köppel
    Chem. Phys. Lett. 231 (1994), 55−63
    Femtosecond time−resolved ionization spectroscopy of Na3(B) and the question of the geometric phase.

  1142. P. Schmelcher and D. L. Shepelyansky
    Phys. Rev. B 49 (1994), 7418
    Chaotic and Ballistic Dynamics for Two−Dimensional Electrons in Periodic Magnetic Fields.

  1143. P. Schmelcher, L. S. Cederbaum and U. Kappes
    in: Conceptual trends in quantum chemistry, ed. E. S. Kryachko and J. L. Calais, Kluwer Acad. Publ., Netherlands (1994)
    Molecules in magnetic fields: fundamental aspects

  1144. M. K. Scheller and L. S. Cederbaum
    J. Chem. Phys. 100 (1994), 8943
    Construction principle for stable multiply−negative charged molecular systems. Part II. Triply−negative charged systems

  1145. M. K. Scheller and L. S. Cederbaum
    J. Chem. Phys. 100 (1994), 8934
    Construction principle for stable multiply−negative charged molecular systems. Part I. Doubly−negative charged systems

  1146. M. K. Scheller and L. S. Cederbaum
    J. Chem. Phys. 101 (1994), 3962
    Stable multiply negative ionic chains: How many excess electrons can a finite quasilinear molecule hold

  1147. H. Müller and H. Köppel
    Chem. Phys. 183 (1994), 107−116
    Adiabatic wave−packet motion on conically intersecting potential energy surfaces: the case of SO2(1B11A2).

  1148. H. Müller, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 101 (1994), 10263
    Three dimensional nuclear dynamics on conically intersecting potential energy surfaces of O3+ (2A12B2 )

  1149. H.−D. Meyer
    Chem. Phys. Lett. 223 (1994), 465−468
    On the equivalence of the log−derivative Kohn principle with the R−matrix method.

  1150. M. Mayer, L. S. Cederbaum and H. Köppel
    J. Chem. Phys. 100 (1994), 899
    Ground state dynamics of NO3: multimode vibronic borrowing including thermal effects

  1151. D. M. Leitner, H. Köppel and L. S. Cederbaum
    Phys. Rev. Lett. 73 (1994), 2970
    Effects of symmetry breaking on spectra of chaotic Hamiltonian systems

  1152. D. Leitner and L. S. Cederbaum
    Phys. Rev. E 49 (1994), 114
    Some properties of invariant random−matrix ensembles and their connection to ergodic and nonergodic Hamiltonian systems

  1153. H. Köppel and R. Meiswinkel
    Z. Phys. D 32 (1994), 153−156
    Point−charge model for vibronic coupling constants of metal atom trimers.

  1154. U. Kappes, P. Schmelcher and T. Pacher
    Phys. Rev. A 50 (1994), 3775
    Influence of a Strong Magnetic Field on the Chemical Bond of the Excited Hydrogen Molecular Ion.

  1155. U. Kappes and P. Schmelcher
    J. Chem. Phys. 100 (1994), 2878
    Atomic Orbital Basis Set Optimization for Ab Initio Calculations of Molecules with Hydrogen Atoms in Strong Magnetic Fields.

  1156. A. D. Hammerich, U. Manthe, R. Kosloff, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 101 (1994), 5623
    Time−dependent photodissociation of methyl iodide with five active modes

  1157. S.−L. Drechsler, J. Malek, M. Lavrentiev and H. Köppel
    Phys. Rev. B 49 (1994), 233−243
    Optical phonons of alternating chains with 3/4−filled bands and internal degrees of freedom: A simple model for Ca2CuO3.

  1158. O. Dippel, P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 49 (1994), 4415
    Charged anisotropic harmonic oscillator and the hydrogen atom in crossed fields

  1159. L. S. Cederbaum and P. Winkler
    Theoret. Chim. Acta 88 (1994), 257
    Dilatation transformation and sum rules for general potentials including self−consistent potentials

  1160. K. Zähringer, H.−D. Meyer, L. S. Cederbaum, F. Tarantelli and A. Sgamellotti
    Chem. Phys. Lett. 206 (1993), 247
    All ab initio Auger spectra of HF and LiF: energies, intensities and vibrational shifts and broadenings

  1161. H.−G. Weikert and L. S. Cederbaum
    J. Chem. Phys. 99 (1993), 8877
    Free doubly negative tetrahalides

  1162. F. Tarantelli and L. S. Cederbaum
    Phys. Rev. Lett. 71 (1993), 649
    Foreign imaging in Auger spectroscopy: The Si 2p spectrum of silicon tetrafluoride

  1163. T. Sommerfeld, M. K. Scheller and L. S. Cederbaum
    Chem. Phys. Lett. 209 (1993), 216
    The structure of small doubly negative carbon clusters

  1164. P. Schmelcher and L. S. Cederbaum
    Chem. Phys. Lett. 208 (1993), 548
    Two−body effects of the hydrogen atom in crossed electric and magnetic fields

  1165. P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 47 (1993), 2634
    Intermittent chaos in Hamiltonian systems: The three−dimensional hydrogen atom in magnetic fields

  1166. P. Schmelcher
    Phys. Rev. B 48 (1993), 14462
    Delocalization of Excitons in a Magnetic Field.

  1167. J. Schirmer, A. B. Trofimov, K. J. Randall, J. Feldhaus, A. M. Bradshaw, Y. Ma, C. T. Chen and F. Sette
    Phys. Rev. A 47 (1993), 1136−1147
    K−shell excitation of the water, ammonia, and methane molecules using high−resolution photoabsorption spectroscopy.

  1168. M. Scheller and L. S. Cederbaum
    J. Chem. Phys. 99 (1993), 441
    Stability of MX32− ions in the gas phase and when do ionic molecules have large ionization potentials.

  1169. M. K. Scheller and L. S. Cederbaum
    Chem. Phys. Lett. 216 (1993), 141
    A construction principle for stable multiply charged molecular anions in the gas phase

  1170. U. V. Riss and H.−D. Meyer
    J. Phys. B 26 (1993), 4503−4536
    Calculation of resonance energies and widths using the complex absorbing potential method.

  1171. T. Pacher, L. S. Cederbaum and H. Köppel
    Adv. Chem. Phys. 84 (1993), 293
    Adiabatic and quasidiabatic states in a gauge theoretical framework

  1172. H. Müller, H. Köppel and L. S. Cederbaum
    New J. Chem. 17 (1993), 7
    Topology and dynamics of vibronically coupled potential energy surfaces: General aspects and application to the ozone cation

  1173. D. Minelli, F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
    J. Chem. Phys. 99 (1993), 6688
    Theoretical simulation of molecular Auger spectra: The carbon and oxygen KLL Auger spectra of formaldehyde

  1174. H.−D. Meyer, U. Manthe and L. S. Cederbaum
    Numerical grid methods and their applications to Schrödingers equation 412 (1993), 141
    The multi−configuration Hartree approach

  1175. R. Meiswinkel and H. Köppel
    Chem. Phys. Lett. 201 (1993), 449−457
    Combined Jahn−Teller and Pseudo−Jahn−Teller effects in the P4+ cation.

  1176. D. M. Leitner and L. S. Cederbaum
    J. Mol. Struct. 292 (1993), 197
    Invariant random matrix ensembles as models for ergodic and nonergodic Hamiltonian systems

  1177. M. Lavrentiev, H. Köppel and M. C. Boehm
    Chem. Phys. 169 (1993), 85−102
    Theoretical study of the multimode Peierls distortion in the polydecker sandwich compound [Ni(C3B2H5)].

  1178. M. Yu. Lavrentiev, H. Köppel and L. S. Cederbaum
    Z. Phys. B 91 (1993), 481
    Peierls instabilities in one−dimensional systems with Jahn−Teller−active monomers

  1179. M. Lavrentiev, H. Köppel and M. C. Boehm
    Synth. Metals 55-57 (1993), 4644−4649
    Electronic structure and multimode Peierls distortions in the one−dimensional polydecker Ni(H5C3B2)∈fty.

  1180. H. Köppel
    Chem. Phys. Lett. 205 (1993), 361−370
    New ultrafast nonradiative decay mechanism in the benzene radical cation.

  1181. A. V. Kondratenko and L. S. Cederbaum
    J. Phys. C: Condensed Matter 5 (1993), 8869
    Resonant−electron−transfer model for the electronic structure of high−Tc superconductors

  1182. K. B. Ghose, S. Pal and H.−D. Meyer
    J. Chem. Phys. 99 (1993), 945−949
    Correlated static−exchange interaction calculation for e + N2 scattering using the coupled cluster technique

  1183. S. −L. Drechsler, J. Malek, H. Eschrig, H. Köppel and L. S. Cederbaum
    Synthetic Metals 57 (1993), 4272
    Nonlinear defect states in AB−chains with internal degrees of freedom

  1184. L. S. Cederbaum and F. Tarantelli
    J. Chem. Phys. 98 (1993), 9691
    Nuclear dynamics of decaying states: a time−dependent formulation

  1185. L. S. Cederbaum and F. Tarantelli
    J. Chem. Phys. 99 (1993), 5871
    Nuclear dynamics of several decaying overlapping electronic states: A time−dependent formulation

  1186. N. G. Antoniou, F. K. Diakonos, C. G. Papadopoulos and P. Schmelcher
    Phys. Rev. E 48 (1993), 3399
    Hadronic Intermittency and Chaotic Motion in Rapidity Space.

  1187. K. Zähringer, H.−D. Meyer and L. S. Cederbaum
    Phys. Rev. A 46 (1992), 5643
    Angular−resolved Auger rates of LiF and HF

  1188. K. Zähringer, H.−D. Meyer and L. S. Cederbaum
    Phys. Rev. A 45 (1992), 318
    Molecular scattering wavefunctions for Auger decay rates: The Auger spectrum of hydrogen fluoride

  1189. A. Tarantelli and L. S. Cederbaum
    Phys. Rev. A 46 (1992), 81
    Approximation scheme for the three−particle propagator

  1190. F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
    in: Applied Many−Body Methods in Spectroscopy and Electronic Structure, ed. D. Mukherjee, Plenum Press, New York (1992)
    Recent developments in the calculation of molecular Auger spectra

  1191. A. Tarantelli and L. S. Cederbaum
    Phys. Rev. A 45 (1992), 2790
    Configuration−interaction formulation of the Dyson equation

  1192. P. Schmelcher and L. S. Cederbaum
    Z. Phys. D 24 (1992), 311
    Regularity and chaos in the center of mass motion of the hydrogen atom in a magnetic field

  1193. P. Schmelcher and L. S. Cederbaum
    Phys. Lett. A 164 (1992), 305
    On chaos in unbounded phase space

  1194. P. Schmelcher
    J. Phys. B 25 (1992), 2697
    Regularity and Irregularity in the Center of Mass Motion of the Positronium Atom in a Magnetic Field.

  1195. A. Schmitt and J. Schirmer
    Chem. Phys. 164 (1992), 1
    Molecular K−shell excitation spectra in the relaxed−core Hartree−Fock approximation.

  1196. M. K. Scheller and L. S. Cederbaum
    J. Phys. B: At. Mol. Opt. Phys. 25 (1992), 2257
    Existence of doubly−negative charged ions and relation to solids

  1197. H. Müller, H. Köppel, L. S. Cederbaum, T. Schmelz, G. Chambaud and P. Rosmus
    Chem. Phys. Lett. 197 (1992), 599
    Vibronic coupling effects in the ozone cation

  1198. H.−D. Meyer
    J. Phys. B 25 (1992), 2657−2668
    The CI optical potential and its equivalence with the Schwinger multichannel formalism

  1199. H.−D. Meyer, S. Pal and U. V. Riss
    Phys. Rev. A 46 (1992), 186−193
    Inclusion of electron correlation for the target wavefunction in low−energy e + N2 scattering.

  1200. U. Manthe, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 97 (1992), 9062
    Multiconfigurational time−dependent Hartree study of complex dynamics: Photodissociation of NO2

  1201. U. Manthe, H.−D. Meyer and L. S. Cederbaum
    J. Chem. Phys. 97 (1992), 3199
    Wave−Packet Dynamics within the Multiconfiguration Hartree Framework: General Aspects and Application to NOCl

  1202. L. S. Cederbaum and H. Köppel
    J. Phys. A 25 (1992), L311
    The distorted Jahn−Teller effect.

  1203. L. S. Cederbaum
    Few−Body Systems, Suppl. 6 (1992), 595
    Green's functions for molecules

  1204. H. −G. Weikert, L. S. Cederbaum, F. Tarantelli and A. I. Boldyrev
    Z. Phys. D 18 (1991), 299
    On the existence of free doubly negative molecular ions

  1205. F. Taratelli, A. Sgamellotti and L. S. Cederbaum
    J. Chem. Phys. 94 (1991), 523
    Many dicationic states and two−hole population analysis as a bridge to Auger spectra: Strong localization phenomena in BF3

  1206. P. Schmelcher and L. S. Cederbaum
    Int. J. Quant. Chem. S 25 (1991), 371
    On molecules and ions in strong magnetic fields

  1207. P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 43 (1991), 287
    Interaction of the Landau orbitals of atomic ions in a magnetic field with electronic motion

  1208. T. Schmelz, G. Chambaud, P. Rosmos, H. Köppel, L. S. Cederbaum and H.−J. Werner
    Chem. Phys. Lett. 183 (1991), 209
    Electronic states of the O3+ radical cation

  1209. J. Schirmer, M. Braunstein and V. McKoy
    Phys. Rev. A. 44 (1991), 5762
    Satellite Intensities in the K−shell photoionization of CO.

  1210. J. Schirmer
    Phys. Rev. A 43 (1991), 4647−4659
    Closed−form intermediate representations of many−body propagators and resolvent matrices.

  1211. T. Pacher, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 95 (1991), 6668
    Quasidiabatic states from ab initio calculations by block diagonalization of the electronic Hamiltonian: Use of frozen orbitals

  1212. E. M.−L. Ohrendorf, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. A 44 (1991), 205
    Double vacancies in the cores of silane and tetrafluorosilane

  1213. E. M.−L. Ohrendorf, F. Tarantelli and L. S. Cederbaum
    Chem. Phys. Lett. 183 (1991), 1
    Orbital coupling in double−vacancy and two−electron systems

  1214. H.−D. Meyer, Horacek J. and L. S. Cederbaum
    Phys. Rev. A 43 (1991), 3587−3596
    Schwinger and anomaly−free Kohn variational principles and a generalized Lanczos algorithm for non−symmetric operators.

  1215. R. Meiswinkel and H. Köppel
    Z. Phys. D 19 (1991), 63−66
    A pseudo−Jahn−Teller treatment of the B system of Na3.

  1216. U. Manthe and H. Köppel
    Chem. Phys. Lett. 178 (1991), 36−42
    Three−dimensional wave packet dynamics on vibronically coupled dissociative potential energy surfaces.

  1217. U. Manthe, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 95 (1991), 1708
    Dissociation and predissociation on coupled electronic potential energy surfaces: A three−dimensional wave packet dynamical study

  1218. C. LeForestier, R. Bisseling, C. Cerjan, M. D. Feit, A. Guldenberg, A. Hammerich, G. Jolicard, W. Karrlein, H.−D. Meyer, N. Lipkin, O. Roncero and R. Kosloff
    J. Comp. Phys. 94 (1991), 59−80
    A comparison of different propagation schemes for the time−dependent Schrödinger equation

  1219. S. V. K. Kumar, G. Ziegler, H. J. Korsch, K. Bergmann and H.−D. Meyer
    Phys. Rev. A 44 (1991), 268−273
    Inelastic transitions in vibrationally excited Na induced by intermediate energy electron impact.

  1220. J. Kucar and H.−D. Meyer
    Z. Phys.D 18 (1991), 325−237
    The time−dependent rotated Hartree approach: A re−formulation for the harmonic Lie algebra

  1221. A. V. Kondratenko and L. S. Cederbaum
    Phys. Rev. B 43 (1991), 10595
    Small ab initio Cu(II) oxide cluster model with localized states and strong screening effects accompanying ionization

  1222. G. Hähner, M. Kinzler, Ch. Wöll, M. Grunze, M. K. Scheller and L. S. Cederbaum
    Phys. Rev. Lett. 67 (1991), 851
    Near Edge X−ray absorption fine−structure determination of alkyl−chain orientation: Breakdown of the 'Building−Block' scheme

  1223. F. X. Gadea, H. Köppel, J. Schirmer, L. S. Cederbaum, K. J. Randall, A. M. Bradshaw, Y. Ma, F. Sette and C. T. Chen
    Phys. Rev. Lett. 66 (1991), 883
    Vibronic coupling and core−hole localization in K−shell excitations of ethylene

  1224. F. Fischer, H. Köppel and L. S. Cederbaum
    Synthetic Metals 41 (1991), 3597
    Multimode Peierls distortions

  1225. L. S. Cederbaum, P. Campos, F. Tarantelli and A. Sgamellotti
    J. Chem. Phys. 95 (1991), 6634
    Band shape and vibrational structure in Auger spectra: Theory and application to carbon monoxide

  1226. L. S. Cederbaum and H.−D. Meyer
    Chem. Phys. Lett. 181 (1991), 163
    On natural orbitals for properties

  1227. G. Ziegler, S. V. K. Kumar, M. Rädle, K. Jung, H. Ehrhardt, K. Bergmann and H.−D. Meyer
    Z. Phys.D 16 (1990), 207−217
    Rotational excitation by electron impact: A state selective study using laser−induced fluorescence

  1228. P. Tomasello, W. Wardermann, W. von Niessen and L. S. Cederbaum
    J. Am. Chem. Soc. 112 (1990), 94
    Valence ionization spectra of disubstituted s−Tetrazines: Strong correlation effects induced by substitution

  1229. A. Tarantelli and L. S. Cederbaum
    J. Math. Phys. 31 (1990), 828
    Block−diagonalization in second quantization

  1230. R. Schneider, W. Domcke and H. Köppel
    J. Chem. Phys. 92 (1990), 1045−1061
    Aspects of dissipative electronic and vibrational dynamics of strongly vibronically coupled systems.

  1231. P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 41 (1990), 4936
    Crossings of potential−energy surfaces in a magnetic field

  1232. J. Schirmer, M. Braunstein and V. McKoy
    Phys. Rev. A 41 (1990), 283−300
    Molecular K−shell photoionization cross sections in the relaxed−core Hartee−Fock approximation.

  1233. M. K. Scheller, L. S. Cederbaum and F. Tarantelli
    J. Am. Chem. Soc. 112 (1990), 9484
    On the bonding between C2 and N2: a localization induced σ bond

  1234. M. K. Scheller, H.−G. Weikert, L. S. Cederbaum and F. Tarantelli
    J. Electr. Spectrosc. 51 (1990), 75
    Correlation phenomena in the ionization of CN dimers

  1235. E. M.−L. Ohrendorf, F. Tarantelli and L. S. Cederbaum
    J. Chem. Phys. 92 (1990), 2984
    Dicationic states of hydrocarbons and a statistical approach to their Auger spectra

  1236. E. Ohrendorf, H. Köppel, L. S. Cederbaum, F. Tarantelli and A. Sgamellotti
    J. Electr. Spectrosc. 51 (1990), 211
    On the Auger spectrum of ethylene

  1237. W. von Niessen, P. Tomasello, J. Schirmer, L. S. Cederbaum, R. Cambi, F. Tarantelli and A. Sagmellotti
    J. Chem. Phys. 92 (1990), 4331
    Valence ionization of HCl. An investigation of many−body effects

  1238. M. Müller and L. S. Cederbaum
    Phys. Rev. A 42 (1990), 170
    Many−body theory of composite electronic−positronic systems

  1239. H. −D. Meyer, U. Manthe and L. S. Cederbaum
    Chem. Phys. Lett. 165 (1990), 73
    The multi−configurational time−dependent Hartree−approach

  1240. R. Meiswinkel and H. Köppel
    Chem. Phys. 144 (1990), 117−128
    A Pseudo−Jahn−Teller Treatment of the Pseudorotational Spectrum of Na3.

  1241. U. Manthe and H. Köppel
    J. Chem. Phys. 93 (1990), 345−356
    New method for calculating wavepacket dynamics: strongly coupled surfaces and the adiabatic basis.

  1242. U. Manthe and H. Köppel
    J. Chem. Phys. 93 (1990), 1658−1669
    Dynamics on potential energy surfaces with a conical intersection: adiabatic, intermediate and diabatic behaviour.

  1243. H. Kutz and H.−D. Meyer
    J. Phys. B 23 (1990), 829−839
    Electron − HF scattering in the static−exchange approximation

  1244. H. J. Korsch, H.−D. Meyer and C. P. Shukla
    Z. Phys.D 15 (1990), 227−237
    Rotational excitation in electron−molecule scattering at intermediate collision energy: A two−centre scattering model

  1245. L. S. Cederbaum, F. Tarantelli and P. Winkler
    J. Phys. B 23 (1990), L747
    Non−analyticity of self−consistent field approaches: failure of predicting symmetry

  1246. L. S. Cederbaum
    Int. J. Quant. Chem. S 38 (1990), 393
    On Green's function and their applications

  1247. Th. Zimmermann, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 91 (1989), 3934
    Statistical fluctuations of decay rates

  1248. F. Tarantelli, L. S. Cederbaum and P. Campos
    J. Chem. Phys. 91 (1989), 7039
    Symmetry breaking and symmetry restoring in ions of loosely bound systems

  1249. A. Tarantelli and L. S. Cederbaum
    in: Many−Body Methods in Quantum Chemistry, ed. U. Kaldor, Springer, Heidelberg (1989)
    On the connection between effective Hamiltonians and propagators

  1250. A. Tarantelli and L. S. Cederbaum
    Phys. Rev. A 39 (1989), 1656
    Particle−particle propagator in the algebraic diagrammatic construction scheme at third order

  1251. A. Tarantelli and L. S. Cederbaum
    Phys. Rev. A 39 (1989), 1639
    Connection between Green's functions and effective Hamiltonians: Particle−particle propagator

  1252. P. Schmelcher and L. S. Cederbaum
    Phys. Lett. A 140 (1989), 498
    New approximate constant of motion for molecular ions in a magnetic field

  1253. P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 40 (1989), 3515
    Approximate constant of motion for molecular ions in a magnetic field

  1254. J. Schirmer and G. Angonoa
    J. Chem. Phys. 91 (1989), 1754−1761
    On Green's function calculations of the static self−energy part, the ground state energy and expectation values.

  1255. M. Rosi, A. Sgamellotti, F. Tarantelli, C. Floriani and L. S. Cederbaum
    J. Chem. Soc. Dalton Trans. 1 (1989), 33
    A theoretical study on the co−ordination of dinitrogen and related molecules to nickel

  1256. T. Pacher, C. A. Mead, L. S. Cederbaum and H. Köppel
    J. Chem. Phys. 91 (1989), 7057
    Gauge theory and quasidiabatic states in molecular physics

  1257. E. Ohrendorf, H. Köppel, L. S. Cederbaum, F. Tarantelli and A. Sgamellotti
    J. Chem. Phys 91 (1989), 1734
    Doubly ionized states of ethylene: Auger spectrum, potential energy surfaces and nuclear dynamics

  1258. W. von Niessen, L. S. Cederbaum and F. Tarantelli
    J. Chem. Phys. 91 (1989), 3582
    Valence ionization and the electron affinities of the open and cyclic forms of Se3 and Te3

  1259. H.−D. Meyer and S. Pal
    J. Chem. Phys. 91 (1989), 6195−6204
    A band Lanczos method for computing matrix elements of a resolvent.

  1260. H.−D. Meyer
    Phys. Rev. A 40 (1989), 5605−5613
    Optical potentials for electron−molecule scattering: A comparative study on the N2 2Πg−resonance.

  1261. R. Meiswinkel and H. Köppel
    Chem. Phys. 129 (1989), 463−476
    Impact of totally symmetric vibrations on the E x e Jahn−Teller effect.

  1262. J. Kucar and H.−D. Meyer
    J. Chem. Phys. 90 (1989), 5566
    Exact wave packet propagation using time−dependent basis sets

  1263. F. Fischer, H. Köppel and L. S. Cederbaum
    Z. Phys. B 74 (1989), 513
    Influence of internal degrees of freedom on the structure of one−dimensional systems

  1264. L. S. Cederbaum, F. Tarantelli, H. G. Weikert, M. K. Scheller and H. Köppel
    Angew. Chem. Int. Ed. Engl. 28 (1989), 761
    Diisocyan oder Cyanisocyan.

  1265. L. S. Cederbaum, J. Schirmer and H.−D. Meyer
    J. Phys. A: Math. Gen. 22 (1989), 2427
    Block diagonalisation of Hermitian matrices

  1266. Th. Zimmermann, H. Köppel, L. S. Cederbaum, G. Persch and W. Demtröder
    Phys. Rev. Lett. 61 (1988), 3
    Confirmation of random−matrix fluctuations in molecular spectra

  1267. Th. Zimmermann, L. S. Cederbaum and H. Köppel
    Ber. Bunsenges. Phys. Chem. 92 (1988), 217
    Statistical properties of energy levels in non−Born−Oppenheimer systems

  1268. F. Tarantelli and L. S. Cederbaum
    J. Chem. Phys. 89 (1988), 4170
    On the choice of orbital bases for configuration interaction

  1269. P. Schmelcher, L. S. Cederbaum and H.−D. Meyer
    J. Phys. B 21 (1988), L445
    On the validity of the Born−Oppenheimer approximation in magnetic fields

  1270. P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 37 (1988), 672
    Molecules in strong magnetic fields: Properties of atomic orbitals

  1271. P. Schmelcher, L. S. Cederbaum and H.−D. Meyer
    Phys. Rev. A 38 (1988), 6066
    Electronic and nuclear motion and their couplings in the presence of a magnetic field

  1272. J. Schirmer, A. Barth and F. Tarantelli
    Chem. Phys. 122 (1988), 9
    Theoretical study of K−shell excitations in formaldehyde.

  1273. R. Sawatzki and L. S. Cederbaum
    Phys. Rev. A 38 (1988), 6059
    Scaled Hartree−Fock orbitals for perturbation treatment of ground and excited electronic states

  1274. G. Persch, E. Medizadeh, W. Demtröder, Th. Zimmermann, H. Köppel and L. S. Cederbaum
    Ber. Bunsenges. Phys. Chem. 92 (1988), 312
    Vibronic level density of excited NO2−states and its statistical analysis

  1275. T. Pacher, L. S. Cederbaum and H. Köppel
    J. Chem. Phys. 89 (1988), 7367
    Approximately diabatic states from blockdiagonalization of the electronic Hamiltonian

  1276. E. Ohrendorf, L. S. Cederbaum and H. Köppel
    Chem. Phys. Lett. 151 (1988), 273
    On multidimensional avoided crossings of potential energy surfaces

  1277. H.−D. Meyer
    J. Phys. B 21 (1988), 3777−3792
    The separation of the optical potential for electron−molecule scattering into a local and non−local part.

  1278. H. −D. Meyer, J. Kucar and L. S. Cederbaum
    J. Math. Phys. 29 (1988), 1417
    Time−dependent rotated Hartree: formal development

  1279. H. Köppel, L. S. Cederbaum and W. Domcke
    J. Chem. Phys. 89 (1988), 2023−2040
    Interplay of Jahn−Teller and pseudo Jahn−Teller vibronic dynamics in the benzene cation.

  1280. F. Fischer, H. Köppel and L. S. Cederbaum
    Phys. Rev. B 37 (1988), 9477
    Non−Peierls structural phase transitions in one−dimensional Peierls systems

  1281. L. S. Cederbaum, Th. Zimmermann, K. Köppel and H.−D. Meyer
    in: Fractals, Quasicrystals, Chaos, Knots and Algebraic Quantum Mechanics, ed. A. Amann, L. S. Cederbaum and W. Gans, Kluwer Academic Publ., London (1988)
    Statistical properties of energy levels and connection to classical mechanics

  1282. Th. Zimmermann, L. S. Cederbaum, H.−D. Meyer and H. Köppel
    J. Phys. Chem. 91 (1987), 4446
    Statistical properties of energy levels

  1283. Th. Zimmermann and L. S. Cederbaum
    Phys. Rev. Lett. 59 (1987), 1496
    Additional properties of random matrices and their relation to Hamiltonian Systems

  1284. Th. Zimmermann, H. Köppel, H.−D. Meyer and L. S. Cederbaum
    Physica Scripta 35 (1987), 125
    Energy level statistics of coupled oscillators

  1285. H. −G. Weikert and L. S. Cederbaum
    Few−Body Systems 2 (1987), 33
    Particle−number−dependent theory of few− and many−body systems

  1286. F. Tarantelli, A. Sgamellotti, L. S. Cederbaum and J. Schirmer
    J. Chem. Phys. 86 (1987), 2201
    Theoretical investigation of many dicationic states and the Auger spectrum of benzene

  1287. J. Schirmer, G. Angonoa, S. Svensson, D. Nordfors and U. Gelius
    J. Phys. B. 20 (1987), 6031
    High energy photoelectron C1s and O1s shake−up spectra of CO.

  1288. J. Schirmer, G. Angonoa and L. S. Cederbaum
    Z. Phys. D 5 (1987), 253
    On the core−hole photoelectron satellites in N2 and CO

  1289. R. Sawatzki, L. S. Cederbaum and F. Tarantelli
    J. Phys. B 20 (1987), 5259
    Non−Hartree−Fock mean fields for molecules: critical tests

  1290. J. Kucar, H.−D. Meyer and L. S. Cederbaum
    Chem. Phys. Lett. 140 (1987), 525
    Time−dependent rotated Hartree approach

  1291. H. Korsch, H. Kutz and H.−D. Meyer
    J. Phys. B 20 (1987), L433−L439
    Rotational rainbows in electron−molecule scattering

  1292. F. Fischer, H. Köppel and L. S. Cederbaum
    Il Nuovo Cimento Lett. 9 (1987), 571
    Influence of internal degrees of freedom on the structure of one−dimensional systems

  1293. W. Domcke, H. Köppel and L. S. Cederbaum
    in: Stochasticity and Intermolecular Redistribution of Energy, ed. R. Lefebvre and S. Mukamel, Reidel Publ. Company, (1987)
    Conical intersections and ultrafast radiationless decay

  1294. W. Domcke, C. Mündel and L. S. Cederbaum
    Comments At. Mol. Phys. 20 (1987), 293
    Collision dynamics with non−local complex potentials

  1295. W. Domcke and H. Köppel
    Chem. Phys. Lett. 140 (1987), 133−141
    Model calculation on the pump−probe measurement of ultrafast electronic population decay in polyatomic molecules.

  1296. L. S. Cederbaum
    Phys. Rev. A 35 (1987), 622
    Many−body theory of multiple core holes

  1297. L. S. Cederbaum, F. Tarantelli, A. Sgamellotti and J. Schirmer
    J. Chem. Phys. 86 (1987), 2168
    Double vacancies in the core of benzene

  1298. G. Angonoa, O. Walter and J. Schirmer
    J. Chem. Phys. 87 (1987), 6789
    Theoretical K−shell ionization spectra of N2 and CO by a fourth−order Green's function method.

  1299. Th. Zimmermann, H.−D. Meyer, H. Köppel and L. S. Cederbaum
    Phys. Rev. A 33 (1986), 4334
    Manifestation of classical chaos in the statistics of quantum energy levels

  1300. P. Tomasello, W. von Niessen, J. Schirmer and L. S. Cederbaum
    J. Electr. Spectrosc. 40 (1986), 193
    A Green's function calculation of the lowest ionization potential of some radicals

  1301. R. Sawatzki and L. S. Cederbaum
    Chem. Phys. Lett. 126 (1986), 430
    On the choice of unperturbed Hamiltonians and the convergence of perturbation theory

  1302. W. von Niessen, P. Tomasello, J. Schirmer and L. S. Cederbaum
    Aust. J. Phys. 39 (1986), 687
    Recent progress in a Green's function method for the calculation of ionization spectra

  1303. W. von Niessen, L. S. Cederbaum and J. Schirmer
    J. Electr. Spectrosc. 41 (1986), 235
    Theoretical investigation on the ionic main and satellite states of some quinone and benzene like molecules: a search for low lying satellite states

  1304. W. von Niessen, J. Schirmer and L. S. Cederbaum
    J. Chem. Soc. Faraday II, 82 (1986), 1489
    On the ionic states of S2N2 and the assignment of the photoelectron spectrum

  1305. H.−D. Meyer
    J. Chem. Phys. 84 (1986), 3147−3161
    Theory of the Liapunov exponents of Hamiltonian system and a numerical study on the transition from regular to irregular classical motion.

  1306. H.−D. Meyer
    Phys. Rev. A 34 (1986), 1797−1809
    Electron−molecule scattering treated with the use of separable approximations for the nonlocal part of the interaction: Static exchange calculation for e+H2 and e+N2.

  1307. H. Estrada, L. S. Cederbaum and W. Domcke
    J. Chem. Phys. 84 (1986), 152
    Vibronic coupling of short−lived electronic states

  1308. W. Domcke, M. Berman, C. Mündel and H.−D. Meyer
    Phys. Rev. A 33 (1986), 222
    Direct calculation of complex resonance poles using separable expansions of the potential: Application to the 2Σ+u shape resonance in electron−H2 scattering

  1309. L. S. Cederbaum, F. Tarantelli, A. Sgamellotti and J. Schirmer
    J. Chem. Phys. 85 (1986), 6513
    On double vacancies in the core

  1310. L. S. Cederbaum, W. Domcke, J. Schirmer and W. von Niessen
    Adv. Chem. Phys. 65 (1986), 115
    Correlation effects in the ionization of molecules: Breakdown of the molecular orbital picture

  1311. Th. Zimmermann, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 83 (1985), 4697
    On the bilinear vibronic coupling mechanism

  1312. O. Walter, L. S. Cederbaum, B. Solouki, P. Rosmus and H. Bock
    J. Phys. Chem. 89 (1985), 1384
    Ionic states of nitrosyl cyanide

  1313. F. Tarantelli, A. Tarantelli, A. Sgamellotti, J. Schirmer and L. S. Cederbaum
    Chem. Phys. Lett. 117 (1985), 577
    On the doubly ionized states of ammonia

  1314. F. Tarantelli, A. Tarantelli, A. Sgamellotti, J. Schirmer and L. S. Cederbaum
    J. Chem. Phys. 83 (1985), 4683
    A Green's function and configuration interaction investigation on the doubly ionized states of H2O

  1315. F. Tarantelli, J. Schirmer, A. Sgamellotti and L. S. Cederbaum
    Chem. Phys. Lett. 122 (1985), 169
    On the Auger spectrum of silane

  1316. E. Haller, H. Köppel and L. S. Cederbaum
    J. Mol. Spectrosc. 111 (1985), 377
    The visible absorption spectrum of NO2: a three−mode nuclear dynamics investigation

  1317. R. Gleiter, H. Köppel, P. Hofmann, H. R. Schmidt and J. Ellermann
    Inorg. Chem. 24 (1985), 4020
    Electronic structure of the P3, As3 and Sb3 units in a nortricyclane skeleton

  1318. L. S. Cederbaum, E. Haller and P. Pfeifer
    Phys. Rev. A 31 (1985), 1869
    Fractal dimension function for energy levels

  1319. A. Barth and J. Schirmer
    J. Phys. B. 18 (1985), 867
    Theoretical core−level excitation spectra of N2 and CO by a new polarisation propagator method.

  1320. O. Walter, L. S. Cederbaum and J. Schirmer
    J. Math. Phys. 25 (1984), 729
    The eigenvalue problem for arrow matrices

  1321. J. Schirmer and A. Barth
    Z. Phys. A. 317 (1984), 267
    Higher−order approximations for the particle−particle propagator.

  1322. W. von Niessen, J. Schirmer and L. S. Cederbaum
    Computer Physics Reports 1 (1984), 57
    Computational methods for the one−particle Green's function

  1323. H.−D. Meyer, E. Haller, H. Köppel and L. S. Cederbaum
    J. Phys. A 17 (1984), L831
    On the connection between irregular trajectories and the distribution of quantum level spacings

  1324. H.−D. Meyer and J. P. Toennies
    Surface Science 148 (1984), 58−71
    A classical path approximation for diffractive scattering

  1325. H.−D. Meyer and H. Köppel
    J. Chem. Phys. 81 (1984), 2605−2619
    Time evolution of fluorescence and strong nonadiabatic effects.

  1326. H.−D. Meyer and R. D. Levine
    Chem. Phys. 85 (1984), 189−200
    Multiphonon energy transfer in atom−surface scattering.

  1327. H. J. Korsch, R. Möhlenkamp and H.−D. Meyer
    J. Phys. B 17 (1984), 2955−2969
    On the canonical product expansion of the S−matrix

  1328. H. Köppel, W. Domcke and L. S. Cederbaum
    Adv. Chem. Phys. 57 (1984), 59−246
    Multimode molecular dynamics beyond the Born−Oppenheimer approximation.

  1329. H. Köppel, L. S. Cederbaum and W. Domcke
    Chem. Phys. Lett. 110 (1984), 469
    Strong non−adiabatic effects in C2D4+

  1330. H. Köppel and H.−D. Meyer
    Chem. Phys. Lett. 107 (1984), 149−154
    Novel aspects of ultrafast non−radiative processes.

  1331. E. Haller, H. Köppel and L. S. Cederbaum
    Phys. Rev. Lett. 52 (1984), 1665
    Uncovering the transition from regularity to irregularity in a quantum system

  1332. W. Domcke, M. Berman, H. Estrada, C. Mündel and L. S. Cederbaum
    J. Phys. Chem. 88 (1984), 4862
    Aspects of nuclear dynamics in short−lived negative ion states

  1333. R. Cambi, W. von Niessen and J. Schirmer
    Chem. Phys. 86 (1984), 389
    A theoretical ivestigation of the complete valence ionization spectra of cynamide, isocyanamide, diazirine and diazomethane

  1334. J. Schirmer and O. Walter
    Chem. Phys. 78 (1983), 201
    Complete valence−shell ionization spectra of N2 and CO: Application of the extended Two−particle−hole Tamm−Dancoff approximation (2ph−TDA).

  1335. J. Schirmer, L. S. Cederbaum and O. Walter
    Phys. Rev. A 28 (1983), 1237
    New Approach to the one−particle Green's function for finite Fermi systems

  1336. W. von Niessen, J. Schirmer and L. S. Cederbaum
    in: Methods in Computational Molecular Physics, ed. G. H. F. Diercksen and S. Wilson, Reidel, Dordrecht (1983)
    On a Green's function method for the calculation of ionization spectra in the outer and inner valence region

  1337. H.−D. Meyer
    J. Phys. B 16 (1983), 2785−2800
    The analytically continued S−matrix for potentials defined as a sum of exponentials: II. The multichannel problem

  1338. H.−D. Meyer
    J. Phys. B 16 (1983), 2265−2287
    The analytically continued S−matrix for potentials defined as a sum of exponentials: I. The single−channel problem

  1339. H.−D. Meyer
    Chem. Phys. 82 (1983), 199−205
    A classical model of vibronic coupling

  1340. H. Köppel
    Chem. Phys. 77 (1983), 359−375
    Ultrafast non−radiative decay via conical intersections of molecular potential energy surfaces: C2H4+.

  1341. H. Köppel, L. S. Cederbaum, W. Domcke and S. S. Shaik
    Angew. Chem. Int. Ed. Engl. 22 (1983), 210−224
    Symmetriebrechung und nicht−Born−Oppenheimer−Effekt in Radikalkationen.

  1342. E. Haller, H. Köppel and L. S. Cederbaum
    Chem. Phys. Lett. 101 (1983), 215
    On the statistical behaviour of molecular vibronic energy levels

  1343. E. Haller, H. Köppel, L. S. Cederbaum, W. von Niessen and G. Bieri
    J. Chem. Phys. 78 (1983), 1359
    Multimode Jahn−Teller and pseudo−Jahn−Teller effects in BF3+

  1344. H. Estrada, M. Berman, L. S. Cederbaum and W. Domcke
    Chem. Phys. Lett. 97 (1983), 352
    Theoretical study of electron transmission through N2

  1345. W. Domcke and L. S. Cederbaum
    in: Electron−Atom and Electron−Molecule Collisions, ed. J. Hinze, Plenum, (1983)
    Dynamical theory of resonant electron−molecule scattering near threshold

  1346. L. S. Cederbaum
    J. Chem. Phys. 78 (1983), 5714
    The multistate vibronic coupling problem

  1347. M. Berman, L. S. Cederbaum and W. Domcke
    J. Phys. B 16 (1983), 875
    Analysis of the ambiguities in the definition of the local complex potential in resonant electron−molecule scattering

  1348. M. Berman, O. Walter and L. S. Cederbaum
    Phys. Rev. Lett. 50 (1983), 1979
    Electron−molecule scattering in the optical−potential approach: surpassing second order

  1349. M. Berman, H. Estrada, L. S. Cederbaum and W. Domcke
    Phys. Rev. A 28 (1983), 1363
    Nuclear dynamics in resonant electron−molecule scattering beyond the local approximation: The 2.3 eV shape resonance in N2

  1350. J. Schirmer
    Phys. Rev. A 26 (1982), 2395−2416
    Beyond the random−phase approximation: A new approximation scheme for the polarization propagator.

  1351. W. von Niessen, L. S. Cederbaum, J. Schirmer, G. H. F. Diercksen and W. P. Kraemer
    J. Electr. Spectry. 28 (1982), 45
    Ionization energies of some molecules found in interstellar clouds calculated by a Green's function method

  1352. W. von Niessen, G. Bieri, J. Schirmer and L. S. Cederbaum
    Chem. Phys. 65 (1982), 157
    Hole−mixing effects in the ionization of some unsaturated oxo−compounds

  1353. H.−D. Meyer and O. Walter
    J. Phys. B 15 (1982), 3647−3668
    On the calculation of S−matrix poles using the Siegert Method.

  1354. H. Köppel, L. S. Cederbaum and W. Domcke
    J. Chem. Phys. 77 (1982), 2014−2022
    Strong nonadiabatic effects and conical intersections in molecular spectroscopy and unimolecular decay: C2H4+.

  1355. H. Köppel, L. S. Cederbaum and W. Domcke
    Chem. Phys. 69 (1982), 175
    Strong non−Condon effects induced by electron correlation: N2O+

  1356. E. Haller, H. Köppel, L. S. Cederbaum, G. Bieri and W. von Niessen
    Chem. Phys. Lett. 85 (1982), 12
    Excitation of degenerate vibrations in non−degenerate electronic bands

  1357. W. Domcke and L. S. Cederbaum
    in: Physics of Electronic and Atomic Collisions, ed. S. Datz, North Holland, (1982)
    Theoretical methods for low−energy electron−molecule scattering

  1358. L. S. Cederbaum and H. Köppel
    Chem. Phys. Lett 87 (1982), 14
    What happens when several closely lying electronic states interact through nuclear motion?

  1359. O. Walter, J. Schirmer and L. S. Cederbaum
    in: Inner−shell and X−ray Physics of Atoms and Solids, ed. D. J. Fabian, H. Kleinpoppen and L. M. Watson, Plenum, (1981)
    The particle−hole Tamm−Dancoff Green's function applied to the calculation of atomic ionization energies

  1360. O. Walter and J. Schirmer
    J. Phys. B. 14 (1981), 3805
    The two−particle−hole Tamm−Dancoff approximation (2ph−TDA) for atoms.

  1361. R. Unwin, I. Khan, N. v. Richardson, A. M. Bradshaw, L. S. Cederbaum and W. Domcke
    Chem. Phys. Lett. 77 (1981), 242
    The effect of a resonance on vibrational structure in the photoelectron spectrum of acetylene

  1362. J. Schirmer, L. S. Cederbaum and W. von Niessen
    Chem. Phys. 56 (1981), 285
    Two−hole−one−particle configuration interaction approach for the ionization of open−shell molecules: application to NO2

  1363. W. von Niessen and L. S. Cederbaum
    Mol. Phys. 43 (1981), 897
    Many−body calculations on the ionization spectra of transition metal compounds: ZnCl2, CdCl2 and NiCl2

  1364. W. von Niessen, L. S. Cederbaum, W. Domcke and G. H. F. Diercksen
    Chem. Phys. 56 (1981), 43
    Green's function calculations on the complete valence ionization spectra of HF, HCl, HBr and HI

  1365. W. von Niessen, W. P. Kraemer and J. Schirmer
    J. Chem Soc.,Faraday Trans. 2 77 (1981), 1461
    Green's function calculations on the valence ionization spectra of cyclopropene, diazirine, dioxiran and thiiran

  1366. H.−D. Meyer
    Chem. Phys. 61 (1981), 365−383
    On the forced harmonic oscillator with time−dependent frequency.

  1367. H.−D. Meyer
    Surface Science 104 (1981), 117−160
    A semiclassical approach to inelastic scattering from solid surfaces and to the Debye−Waller factor.

  1368. P. W. Langhoff, S. R. Langhoff, T. N. Rescigno, J. Schirmer, L. S. Cederbaum, W. Domcke and W. von Niessen
    Chem. Phys. 58 (1981), 71
    Theoretical studies of inner−valence−shell photoionization cross sections in N2 and CO

  1369. H. Köppel, W. Domcke and L. S. Cederbaum
    J. Chem. Phys. 74 (1981), 2945−2968
    Theory of vibronic coupling in linear molecules.

  1370. W. Domcke, H. Köppel and L. S. Cederbaum
    Mol. Phys. 43 (1981), 851
    Spectroscopic effects of conical intersections of molecular potential energy surfaces

  1371. W. Domcke and L. S. Cederbaum
    J. Phys. B 14 (1981), 149
    On the interpretation of low−energy electron−HCl scattering phenomena

  1372. J. P. D. Cook, M. G. White, C. E. Brion, W. Domcke, J. Schirmer, L. S. Cederbaum and W. von Niessen
    J. Electr. Spectry. 22 (1981), 261
    On the valence shell binding energy spectrum of carbonyl sulphide

  1373. L. S. Cederbaum and W. Domcke
    J. Phys. B 14 (1981), 4665
    Local against non−local complex potential in resonant electron−molecule scattering

  1374. L. S. Cederbaum, H. Köppel and W. Domcke
    Int. J. Quant. Chem. S 15 (1981), 251
    Multimode vibronic coupling effects in molecules

  1375. A. Barth and L. S. Cederbaum
    Phys. Rev. A 23 (1981), 1038
    Many−body theory of core−valence excitations

  1376. J. Schirmer, L. S. Cederbaum and J. Kiessling
    Phys. Rev. A 22 (1980), 2696
    Branching ratios for ionization processes

  1377. W. von Niessen, L. S. Cederbaum, W. Domcke and J. Schirmer
    in: Computational Methods in Chemistry, ed. J. Bargon, Plenum, (1980)
    Phenomena in photoelectron spectroscopy and their theoretical calculation

  1378. H.−D. Meyer and W. H. Miller
    J. Chem. Phys. 72 (1980), 2272−2281
    Analysis and extension of some recently proposed classical models for electronic degrees of freedom.

  1379. C. H. Maier, L. S. Cederbaum and W. Domcke
    J. Phys. B 13 (1980), L119
    A spherical box approach to resonances

  1380. H. Köppel, E. Haller, L. S. Cederbaum and W. Domcke
    Mol. Phys. 41 (1980), 669−677
    Jahn−Teller effect for very strong coupling.

  1381. E. Haller, L. S. Cederbaum, W. Domcke and H. Köppel
    Chem. Phys. Lett. 72 (1980), 427
    Two−mode Jahn−Teller effect in NH3+

  1382. E. Haller, L. S. Cederbaum and W. Domcke
    Mol. Phys. 41 (1980), 1291
    The E x (epsilon + epsilon) Jahn−Teller−effect

  1383. W. Domcke and L. S. Cederbaum
    J. Phys. B 13 (1980), 2829
    Vibration−induced narrowing of electron scattering resonances near threshold

  1384. L. S. Cederbaum, E. Haller and W. Domcke
    Solid State Comm. 35 (1980), 879
    Effective single−mode Hamiltonian for the calculation of multi−mode Jahn−Teller band shapes

  1385. L. S. Cederbaum, W. Domcke, J. Schirmer and W. von Niessen
    Phys. Scripta 21 (1980), 481
    Many−body effects in valence and core photoionization of molecules

  1386. L. S. Cederbaum, W. Domcke and J. Schirmer
    Phys. Rev. A 22 (1980), 206
    Many−body theory of core holes

  1387. L. S. Cederbaum, W. Domcke, J. Schirmer and H. Köppel
    J. Chem. Phys. 72 (1980), 1348
    Dynamical calculation of satellite intensities

  1388. A. M. Bradshaw, W. Eberhardt, H. J. Levinson, W. Domcke and L. S. Cederbaum
    Chem. Phys. Lett. 70 (1980), 36
    Photon energy dependence of satellite line intensity in the photoelectron spectrum of acetylene

  1389. J. Schirmer, W. Domcke, L. S. Cederbaum, W. von Niessen and L. Åsbrink
    Chem. Phys. Lett. 61 (1979), 30
    Strong correlation effects in the ionization of CS2

  1390. W. von Niessen, L. S. Cederbaum and W. Domcke
    in: Excited States in Quantum Chemistry, ed. C. A. Nicolaides and D. R. Beck, D. Reidel, London (1979)
    On Green's function methods for the study of ionic states in atoms and molecules

  1391. H.−D. Meyer and W. H. Miller
    J. Chem. Phys. 70 (1979), 3214−3223
    A classical analog for electronic degrees of freedom.

  1392. H.−D. Meyer and W. H. Miller
    J. Chem Phys. 71 (1979), 2156−69
    Classical models for electronic degrees of freedom: Derivation via spin analogy and application to F* + H2 → F + H2

  1393. C. W. McCurdy, H.−D. Meyer and W. H. Miller
    J. Chem Phys. 70 (1979), 3177−87
    Classical model for electronic degrees of freedom in nonadiabatic collision processes: Pseudopotential analysis and calculations for F(2P1/2) + H+, Xe → F(2P3/2) + H+, Xe

  1394. H. Köppel and C. A. Coulson
    J. Mol. Spectr. 75 (1979), 64−69
    On the pure rotational spectrum of BF3 in its vibronic ground state.

  1395. H. Köppel, L. S. Cederbaum, W. Domcke and W. von Niessen
    Chem. Phys. 37 (1979), 303−317
    Vibronic coupling in linear molecules and linear−to−bent transitions: HCN+.

  1396. F. Kaspar, W. Domcke and L. S. Cederbaum
    Chem. Phys. 44 (1979), 33
    The influence of finite lifetime of electronic states on the vibrational structure of molecular electronic spectra

  1397. U. Gerlach−Meyer, E. Hulpke and H.−D. Meyer
    Chem Phys. 36 (1979), 327−344
    In plane surface scattering in two and three dimensions. Rainbow structure, energy spectra and the influence of surface temperature

  1398. W. Domcke, L. S. Cederbaum and F. Kaspar
    J. Phys. B 12 (1979), L359
    Threshold phenomena in electron−molecule scattering: a non−adiabatic theory

  1399. W. Domcke, L. S. Cederbaum, J. Schirmer, W. von Niessen, C. E. Brion and K. H. Tan
    Chem. Phys. 40 (1979), 171
    Experimental and theoretical investigation of the complete valence shell ionization of CO2 and N2O

  1400. W. Domcke, L. S. Cederbaum, J. Schirmer and W. von Niessen
    Chem. Phys. 39 (1979), 149
    Negative shake−up energies in core electron ionization

  1401. W. Domcke, L. S. Cederbaum, J. Schirmer and W. von Niessen
    Phys. Rev. Lett. 42 (1979), 1237
    Negative shake−up energies in core electron ionization

  1402. J. Schirmer, L. S. Cederbaum, W. Domcke and W. von Niessen
    Chem. Phys. Lett. 57 (1978), 582
    Complete breakdown of the quasiparticle picture for inner valence electrons: hydrogen cyanide and formic acid

  1403. J. Schirmer, W. Domcke, L. S. Cederbaum and W. von Niessen
    J. Phys. B 11 (1978), 1901
    Breakdown of the molecular orbital picture of ionization: CS, PN and P2

  1404. J. Schirmer and L. S. Cederbaum
    J. Phys. B 11 (1978), 1889
    The 2ph−TDA equations for closed−shell atoms and molecules

  1405. W. von Niessen, G. H. F. Diercksen and L. S. Cederbaum
    J. Am. Chem. Soc. 100 (1978), 6347
    On the assignment of the photoelectron spectrum of trans−oxalyl fluoride

  1406. W. von Niessen, W. Domcke, L. S. Cederbaum and J. Schirmer
    J. Chem. Soc. Faraday Trans. II 74 (1978), 1550
    Interpretation of the photoelectron spectrum of N2O4

  1407. H. Köppel, W. Domcke, L. S. Cederbaum and W. von Niessen
    J. Chem. Phys. 69 (1978), 4252
    Vibronic coupling effects in the photoelectron spectrum of ethylene

  1408. H. Köppel, W. Domcke, W. von Niessen and L. S. Cederbaum
    Mol. Phys. 35 (1978), 1283
    On the Jahn−Teller effect in NH3+

  1409. W. Domcke, L. S. Cederbaum, J. Schirmer and W. von Niessen
    J. Electr. Spectry. 14 (1978), 59
    Breakdown of the molecular orbital picture of ionization for inner valence electron: experimental and theoretical study of H2S and PH3

  1410. W. Domcke and L. S. Cederbaum
    Surface Sc. 72 (1978), 223
    Remark on fixed−molecule high−energy photoelectron angular distribution

  1411. W. Domcke and L. S. Cederbaum
    J. Electr. Spectry. 13 (1978), 161
    Electronic recoil effects in high−energy photoelectron spectroscopy

  1412. L. S. Cederbaum, J. Schirmer, W. Domcke and W. von Niessen
    Int. J. Quant. Chem. 14 (1978), 593
    On the adequacy of the molecular orbital picture for describing ionization processes

  1413. L. S. Cederbaum, W. Domcke and H. Köppel
    Chem. Phys. 33 (1978), 319
    Jahn−Teller effect induced by non−degenerate vibrational modes in cumulenes

  1414. L. S. Cederbaum, W. Domcke, J. Schirmer, W. von Niessen, G. H. F. Diercksen and W. P. Kraemer
    J. Chem. Phys. 69 (1978), 1591
    Correlation effects in the ionization of hydrocarbons

  1415. J. Schirmer, L. S. Cederbaum, W. Domcke and W. von Niessen
    Chem. Phys. 26 (1977), 169
    Strong correlation effects in inner−valence ionization of N2 and CO

  1416. J. Schirmer and L. S. Cederbaum
    Phys. Rev. A 16 (1977), 1575
    A simple scheme for determining multiplet ratios in ionization and electron attachment processes

  1417. W. von Niessen, L. S. Cederbaum and W. P. Kraemer
    Theoret. Chim. Acta 44 (1977), 85
    The electronic structure of molecules by a many−body approach. VIII. Ionization potentials of the three−membered ring molecules C3H5, C2H4O, C2H5N

  1418. W. von Niessen, L. S. Cederbaum, W. Domcke and G. H. F. Diercksen
    J. Chem. Phys. 66 (1977), 4893
    Many−body calculations on molecules with second−raw atoms: H2S and H2CS

  1419. W. von Niessen, W. Domcke, L. S. Cederbaum and W. P. Kraemer
    J. Chem. Phys. 67 (1977), 44
    Ionization potentials and vibrational structure in photoelectron spectra by a Green's function method: trans HNNH, cis−HNNH and 1,1−dihydrodiazine

  1420. W. von Niessen, G. H. F. Diercksen and L. S. Cederbaum
    J. Chem. Phys. 67 (1977), 4124
    On the accuracy of ionization potentials calculated by Green's functions

  1421. W. von Niessen, G. H. F. Diercksen and L. S. Cederbaum
    Chem. Phys. Lett. 45 (1977), 295
    The electronic structure of molecules by a many−body approach. VII. Ionization potentials of para−difluorobenzene

  1422. W. von Niessen, W. P. Kraemer and L. S. Cederbaum
    Chem. Phys. 24 (1977), 245
    Trans−N2F and cis−N2F2: a Green's function calculation on their photoelectron spectra

  1423. W. von Niessen, L. S. Cederbaum and W. P. Kraemer
    Mol. Phys. 33 (1977), 1415
    On the controversial assignment of the photoelectron spectrum of SO3

  1424. W. Domcke and L. S. Cederbaum
    J. Phys. B 10 (1977), L47
    A simple formula for the vibrational structure of resonances in electron−molecule scattering

  1425. W. Domcke, L. S. Cederbaum, W. von Niessen and G. H. F. Diercksen
    J. Electr. Spectry. 11 (1977), 239
    On the photoelectron spectrum of PN

  1426. W. Domcke and L. S. Cederbaum
    Chem. Phys. 25 (1977), 189
    Vibronic coupling and symmetry breaking in core electron ionization

  1427. W. Domcke, L. S. Cederbaum, H. Köppel and W. von Niessen
    Mol. Phys. 34 (1977), 1759
    A comparison of different approaches to the calculation of Franck−Condon factors for polyatomic molecules

  1428. W. Domcke and L. S. Cederbaum
    Phys. Rev. A 16 (1977), 1465
    Theory of vibrational structure of resonances in electron−molecule scattering

  1429. L. S. Cederbaum, J. Schirmer, W. Domcke and W. von Niessen
    J. Phys. B 10 (1977), L549
    Complete breakdown of the quasiparticle picture for inner valence electrons

  1430. L. S. Cederbaum, K. Schönhammer and W. von Niessen
    Phys. Rev. A 15 (1977), 833
    Electron affinities by a variation−perturbation approach

  1431. L. S. Cederbaum and W. Domcke
    J. Chem. Phys. 66 (1977), 5084
    Localized and delocalized core holes and their interrelation

  1432. L. S. Cederbaum, W. Domcke, W. von Niessen and W. P. Kramer
    Mol. Phys. 34 (1977), 381
    A difficult assignment problem. The ionic states of ozone and sulphur dioxide

  1433. L. S. Cederbaum, W. Domcke and W. von Niessen
    J. Phys. B 10 (1977), 2963
    A many−body calculation of the electron affinity of C2

  1434. L. S. Cederbaum and W. Domcke
    Adv. Chem. Phys. 36 (1977), 205
    Theoretical aspects of ionization potentials and photoelectron spectroscopy: a many−body approach

  1435. L. S. Cederbaum, W. Domcke, H. Köppel and W. von Niessen
    Chem. Phys. 26 (1977), 149
    Strong vibronic coupling effects in ionization spectra: the mystery band of butatriene

  1436. L. S. Cederbaum and J. Schirmer
    Mol. Phys. 33 (1977), 1407
    An extended statistical law for photoionization and electron−attachment processes

  1437. L. S. Cederbaum, W. Domcke and W. von Niessen
    Mol. Phys. 33 (1977), 1399
    Radiative electron attachment spectra of O3 and SO2: a theoretical investigation

  1438. A. M. Bradshaw, W. Domcke and L. S. Cederbaum
    Phys. Rev. B 16 (1977), 1480
    Intrinsic and extrinsic plasmon coupling in x−ray photoemission from core states of adsorbed atoms

  1439. W. von Niessen, G. H. F. Diercksen, L. S. Cederbaum and W. Domcke
    Chem. Phys. 18 (1976), 469
    Ionization potentials of Ethylene, Allene and Butatriene by a Green's function method

  1440. W. von Niessen, L. S. Cederbaum and G. H. F. Diercksen
    J. Am. Chem. Soc. 98 (1976), 2066
    The electronic structure of molecules by a many−body approach. IV. Ionization potentials and one−electron properties of pyrrole and phosphole

  1441. W. von Niessen, W. P. Kraemer and L. S. Cederbaum
    J. Electr. Spectr. 8 (1976), 179
    The electronic structure of molecules by a many−body approach. III. Ionization potentials and one−electron properties of furan and thiophene

  1442. W. von Niessen, L. S. Cederbaum and W. P. Kraemer
    J. Chem. Phys. 65 (1976), 1378
    The electronic structure of molecules by a many−body approach. I. Ionization potentials and one−electron properties of benzene

  1443. W. von Niessen, L. S. Cederbaum, W. Domcke and G. H. F. Diercksen
    Mol. Phys. 32 (1976), 1057
    Ionization potentials of HCN and HNC by a Green's function method

  1444. H.−D. Meyer and K. T. Tang
    Z. Physik A 279 (1976), 349−355
    s−wave resonances with square well potentials

  1445. W. Domcke and L. S. Cederbaum
    J. Chem. Phys. 64 (1976), 612
    A many−body approach to the vibrational structure in molecular electronic spectra. II. Application to nitrogen, carbon monoxide and formaldehyde

  1446. W. Domcke, L. S. Cederbaum, W. von Niessen and W. P. Kraemer
    Chem. Phys. Lett. 43 (1976), 258
    Calculations of the HeI photoelectron spectrum of CS including satellite lines

  1447. L. S. Cederbaum and W. Domcke
    J. Chem. Phys. 64 (1976), 603
    Vibrational structure in electronic transitions: a general theory

  1448. L. S. Cederbaum and W. Domcke
    Z. Phys. A 277 (1976), 221
    Vibrational excitation of molecules by resonant electron scattering: theory and application to benzene

  1449. K. Schönhammer and L. S. Cederbaum
    Phys. Lett. 51A (1975), 325
    On a variational−perturbational method for large perturbations

  1450. W. von Niessen, L. S. Cederbaum, G. H. F. Diercksen and H. Hohlneicher
    Chem. Phys. 11 (1975), 399
    The electronic structure of molecules by a many−body approach: SF6

  1451. W. von Niessen, Kraemer and L. S. Cederbaum
    Chem. Phys. 11 (1975), 385
    The electronic structure of Molecules by a many−body approach. V. Ionization potentials and one−electron properties of cyclopentadiene and 1−sila−cyclopentadiene−(2,4)

  1452. W. von Niessen, G. H. P. Diercksen and L. S. Cederbaum
    Chem. Phys. 10 (1975), 345
    The electronic structure of molecules by a many−body approach. II. Ionization potentials and one−electron properties of pyridine and phosphoridine

  1453. W. Domcke and L. S. Cederbaum
    Chem. Phys. Lett. 31 (1975), 582
    On the vibrational structure in inner−shell ionization spectra by a many−body approach

  1454. L. S. Cederbaum, W. Domcke and W. von Niessen
    Chem. Phys. Lett. 34 (1975), 60
    On the controversial assignment of the ionization potentials of formaldehyde

  1455. L. S. Cederbaum and P. Matschke
    Phys. Rev. A 12 (1975), 6
    Hyperfine coupling constants by a many−body approach

  1456. L. S. Cederbaum, W. Domcke and W. von Niessen
    Chem. Phys. 10 (1975), 459
    A theoretical photoelectron spectrum of cyanogen by a Green's function method

  1457. L. S. Cederbaum, K. Schönhammer and W. von Niessen
    Chem. Phys. Lett. 34 (1975), 392
    A simple variational−perturbational approach to the correlation problem in atoms and molecules

  1458. L. S. Cederbaum and W. von Niessen
    J. Chem. Phys. 62 (1975), 3824
    On the ionization potentials of N2 by a Green's function approach

  1459. L. S. Cederbaum, W. Domcke, W. von Niessen and W. Brenig
    Z. Physik 21 (1975), 381
    On the interpretation of the photoelectron spectrum of CO chemisorbed on Ni

  1460. L. S. Cederbaum
    J. Phys. B 8 (1975), 290
    One−body Green's function for atoms and molecules: theory and application

  1461. L. S. Cederbaum and K. Schönhammer
    Phys. Rev. A 12 (1975), 2257
    A simple variational approach to perturbation theory

  1462. L. S. Cederbaum
    J. Chem. Phys. 62 (1975), 2160
    Non−single−particle excitations in finite Fermi systems

  1463. A. M. Bradshaw, L. S. Cederbaum and W. Domcke
    in: Structure and Bonding, ed. , Springer Verlag, Heidelberg (1975)
    Ultraviolet photoelectron spectroscopy of gases adsorbed on metal surfaces

  1464. B. Kellerer, L. S. Cederbaum and G. Hohlneicher
    J. Elec. Spectr. 3 (1974), 107
    Calculation of Koopman's defect using semiempirical molecular orbital methods

  1465. L. S. Cederbaum
    in: Proceedings of the VI. International Conference on Vacuum−Ultraviolet Radiation Physics, ed. E. E. Koch and others, Vieweg, Braunschweig (1974)
    Green's function for excitations accompanying ionization in atoms and molecules

  1466. L. S. Cederbaum
    Chem. Phys. Lett. 25 (1974), 562
    A simple explanation of the breakdown of Koopman's theorem for F2 and N2

  1467. L. S. Cederbaum
    Mol. Phys. 28 (1974), 479
    Application of Green's functions to excitations accompanying photoionization in atoms and molecules

  1468. L. S. Cederbaum and W. Domcke
    Chem. Phys. Lett. 25 (1974), 357
    An analogon to Koopman's theorem for the problem of vibrational structure in electron detachment spectra

  1469. L. S. Cederbaum and W. Domcke
    J. Chem. Phys. 60 (1974), 2878
    On the vibrational structure in photoelectron spectra by the method of Green's functions

  1470. L. S. Cederbaum and W. von Niessen
    Chem. Phys. Lett. 24 (1974), 263
    Direct calculation of ionization potentials of atoms and molecules: application to Ne

  1471. L. S. Cederbaum and J. Schirmer
    Z. Physik 271 (1974), 221
    Many−body Green's functions for open−shell atoms and molecules

  1472. L. S. Cederbaum and W. von Niessen
    Phys. Lett. 47A (1974), 199
    A new approach to calculation of electron affinities

  1473. A. M. Bradshaw, L. S. Cederbaum, W. Domcke and U. Krause
    J. Phys. C 7 (1974), 4503
    Plasmon coupling to core hole excitations in carbon

  1474. A. M. Bradshaw, L. S. Cederbaum and W. Domcke
    in: Proceedings of the IV. International Conference on Vacuum−Ultraviolet Radiation Physics, ed. E. E. Koch and others, Vieweg, Braunschweig (1974)
    Plasmon coupling to core hole excitations

  1475. J. Schirmer, S. Knaak and G. Süssman
    Nucl. Phys. A 199 (1973), 31
    Viscosity coefficients for nuclear fission

  1476. L. S. Cederbaum, G. Hohlneicher and W. von Niessen
    Chem. Phys. Letters 18 (1973), 503
    On the breakdown of the Koopman's theorem for nitrogen

  1477. L. S. Cederbaum
    Theoret. Chim. Acta 31 (1973), 239
    Direct calculation of ionization potentials of closed−shell atoms and molecules

  1478. L. S. Cederbaum, G. Hohlneicher and W. von Niessen
    Mol. Phys. 26 (1973), 1405
    Improved calculations of ionization potentials of closed−shell molecules

  1479. G. Hohlneicher, F. Ecker and L. S. Cederbaum
    in: Electron Spectroscopy, ed. D. A. Shirley, North Holland, Amsterdam (1972)
    Direct calculation of ionization potentials by means of a perturbation method based on the use of Green's functions

  1480. G. Strey, L. S. Cederbaum and K. Engelke
    J. Chem. Phys. 54 (1971), 4402
    Isotope rules for the harmonic vibrational frequencies of isotopic molecules: a generalization of Mayant's method

  1481. L. S. Cederbaum, G. Hohlneicher and S. Peyerimhoff
    Chem. Phys. Lett. 11 (1971), 421
    Calculation of vertical ionization potentials of formaldehyde by means of perturbation theory