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List of References

from the Theoretical Chemistry Group at the University of Heidelberg

This documents contains all references with the following properties:
Author:  (any), Title:  (any), Journal:  (any), Year:  (any).
  1. 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
  2. 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
  3. 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
  4. 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
  5. 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
  6. 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
  7. 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
  8. 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
  9. 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
  10. 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
  11. 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
  12. R. Sarkar, S. R. Reddy, S. Mahapatra and and H. Köppel
    Chem. Phys. 482 (2017), 39
    On the Jahn–Teller effect in the X2E electronic ground state of CH3F+
  13. 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
  14. 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
  15. 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
  16. 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
  17. 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
  18. 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)]
  19. 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
  20. 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
  21. L. S. Cederbaum
    Phys. Rev. A 96 (2017), 013615
    Exact many−body wave function and properties of trapped bosons in the infinite−particle limit
  22. 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
  23. 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
  24. 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
  25. I. Baldea
    Chem. Phys. 482 (2017), 311
    Vibrational properties of fractionally charged molecules and their relevance for molecular electronics and electrochemistry
  26. I. Baldea
    Phys. Chem. Chem. Phys. 19 (2017), 30842
    Floppy Molecules as Candidates for Achieving Optoelectronic Molecular Devices without Skeletal Rearrangement or Bond Breaking
  27. I. Baldea
    J. Phys. Chem. A 121 (2017), 2282
    Vibrational Frequencies of Fractionally Charged Molecular Species: Benchmarking DFT Results against Ab Initio Calculations
  28. 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
  29. 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
  30. I. Baldea
    Materials Today: Proceedings 4 (2017), 11519
    Scaling Properties and Related Issues in the Charge Transport through Molecular Junctions
  31. 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
  32. 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
  33. 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
  34. 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
  35. 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
  36. V. Stumpf, K. Gokhberg and L.S. Cederbaum
    Nature Chemistry 8 (2016), 237
    The role of metal ions in X−ray−induced photochemistry
  37. 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
  38. L.S. Cederbaum
    J. Phys. Chem. 120 (2016), 3009
    Field operators in real space
  39. 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
  40. 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
  41. 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
  42. B. Nikoobakht and H. Köppel
    Chem. Phys. Lett. 651 (2016), 221
    Quantum dynamics study of singlet−triplet transitions in s−trans−1,3−butadiene
  43. 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
  44. 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
  45. 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
  46. 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
  47. 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
  48. S. Kopec and H. Köppel
    J. Chem. Phys. 144 (2016), 024314
    Theoretical analysis of the S2 <− S0 vibronic spectrum of the 2−pyridone dimer
  49. 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
  50. 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
  51. 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
  52. 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?
  53. 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
  54. I. Baldea
    RSC Adv. 6 (2016), 93715
    Fractional molecular charge studied via molecular vibrational properties. Specific aspects in Jahn−Teller active molecular species
  55. 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
  56. I. Baldea
    Beilstein Journal of Nanotechnology 7 (2016), 418
    Invariance of molecular charge transport upon changes of extended molecule size and several related issues
  57. I. Baldea
    RSC Adv. 6 (2016), 111903
    Tuning the conformation of floppy molecules by charge transfer
  58. 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
  59. 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
  60. 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
  61. I. Baldea, eds.
    Molecular Electronics: An Experimental and Theoretical Approach,
    Pan Stanford, Boca Raton (2015)
  62. 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
  63. 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
  64. 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
  65. 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
  66. 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
  67. 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
  68. 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
  69. 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
  70. C. Lévêque, R. Taïeb and H. Köppel
    Chem. Phys. 460 (2015), 135
    Theoretical assignment of the Clements bands of SO2
  71. 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
  72. 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
  73. 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
  74. 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
  75. S. Klaiman and L. S. Cederbaum
    Angew. Chem. 54 (2015), 10470
    Barrierless single−electron−induced cis−trans isomerization
  76. 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
  77. 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
  78. 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
  79. N. V. Golubev and A. I. Kuleff
    Phys. Rev. A 91 (2015), 051401(R)
    Control of charge migration in molecules by ultrashort laser pulses
  80. E. Faßhauer, P. Kolorenc and M. Pernpointner
    J. Chem. Phys. 142 (2015), 144106
    Relativistic decay widths of autoionization processes: The relativistic FanoADC−Stieltjes method
  81. 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
  82. 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
  83. 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
  84. 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
  85. 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
  86. 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
  87. 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
  88. 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
  89. I. Baldea
    Phys. Chem. Chem. Phys. 17 (2015), 31260
    Counterintuitive issues in the charge transport through molecular junctions
  90. I. Baldea
    Phys. Chem. Chem. Phys. 17 (2015), 20217
    Important issues facing model−based approaches to tunneling transport in molecular junctions
  91. 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
  92. I. Baldea, Z. Xie and C. D. Frisbie
    Nanoscale 7 (2015), 10465
    Uncovering a law of corresponding states for electron tunneling in molecular junctions
  93. M. Assmann, H. Köppel and S. Matsika
    Phys. Chem. A, 119 (2015), 866
    Photoelectron spectrum and dynamics of the uracil cation
  94. O. Vendrell, M. Schröder and H.−D. Meyer
    in: Molecular Quantum Dynamics, ed. F. Gatti, Springer, Heidelberg (2014)
    Vibrational Spectroscopy and Molecular Dynamics
  95. H. Köppel
    in: Molecular Quantum Dynamics, ed. F. Gatti, Springer, Heidelberg (2014)
    Vibronic coupling effects in spectroscopy and non−adiabatic transitions in molecular photodynamics
  96. 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
  97. 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
  98. 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
  99. 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
  100. 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
  101. 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
  102. 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
  103. 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
  104. 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
  105. M. Pernpointner
    J. Chem. Phys. 140 (2014), 084108
    The relativistic polarization propagator for the calculation of electronic excitations in heavy systems
  106. 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
  107. F. Otto
    J. Chem. Phys. 140 (2014), 014106
    Multi−Layer Potfit: An accurate potential representation for efficient high−dimensional quantum dynamics
  108. 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
  109. 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
  110. 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
  111. 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
  112. 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
  113. 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
  114. 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
  115. 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
  116. 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'?
  117. 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
  118. A. I. Kuleff and L. S. Cederbaum
    J. Phys. B 47 (2014), 124002
    Ultrafast correlation−driven electron dynamics
  119. 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
  120. 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
  121. 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
  122. 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
  123. 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
  124. S. Klaiman and L. S. Cederbaum
    Phys. Rev. A 89 (2014), 039908 (E)
    Erratum: Non−Hermitian Hamiltonians with space−time symmetry
  125. 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
  126. 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
  127. 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
  128. 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
  129. 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
  130. 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
  131. 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
  132. 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
  133. 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
  134. 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
  135. 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)]
  136. 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
  137. I. Baldea
    J. Phys. Chem. C 118 (2014), 8676
    Single−Molecule Junctions Based on Bipyridine: Impact of an Unusual Reorganization on the Charge Transport
  138. I. Baldea
    Nanotechnology 25 (2014), 455202
    Quantifying the relative molecular orbital alignment for molecular junctions with similar chemical linkage to electrodes
  139. 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
  140. 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?
  141. 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
  142. 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
  143. 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
  144. 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
  145. 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
  146. 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
  147. 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
  148. 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
  149. 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
  150. 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
  151. 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+
  152. 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
  153. 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
  154. Q. Meng and H.−D. Meyer
    J. Chem. Phys. 139 (2013), 164709
    MCTDH study on vibrational states of the CO/Cu(100) system
  155. 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
  156. 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
  157. 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
  158. 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
  159. A. I. Kuleff, S. Lünnemann and L. S. Cederbaum
    Chem. Phys. 414 (2013), 100
    Electron−correlation−driven charge migration in oligopeptides
  160. 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
  161. 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
  162. 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
  163. 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
  164. 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?
  165. 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
  166. 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
  167. 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
  168. 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.
  169. 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
  170. 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
  171. 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
  172. 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
  173. 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
  174. 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.
  175. 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
  176. 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
  177. 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
  178. 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
  179. 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
  180. 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
  181. 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
  182. L. S. Cederbaum
    J. Chem. Phys. 138 (2013), 224110
    The exact molecular wavefunction as a product of an electronic and a nuclear wavefunction
  183. 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.
  184. 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
  185. 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
  186. 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
  187. I. Baldea
    Electrochem. Commun. 36 (2013), 19
    Demonstrating why DFT−calculations for molecular transport in solvents need scissor corrections
  188. 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
  189. 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
  190. 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
  191. 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
  192. 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
  193. 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
  194. J. Schirmer
    Phys. Rev. A 86 (2012), 012514
    Reexamination of the Runge−Gross action−integral−functional
  195. G. Sansone, T. Pfeifer, K. Simeonidis and A. I. Kuleff
    Chem. Phys. Chem. 13 (2012), 661
    Electron correlation in real time
  196. 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
  197. 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
  198. 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
  199. 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
  200. 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
  201. 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
  202. 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
  203. 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
  204. 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
  205. 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
  206. 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
  207. 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
  208. 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
  209. 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
  210. N. V. Kryzhevoi and L. S. Cederbaum
    J. Phys. Chem. Lett. 3 (2012), 2733
    Exploring protonation and deprotonation effects with Auger electron spectroscopy
  211. 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
  212. 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
  213. S. Kopelke, Y.−C. Chiang, K. Gokhberg and L. S. Cederbaum
    J. Chem. Phys. 137 (2012), 034302
    Quenching molecular photodissociation by intermolecular Coulombic decayâ
  214. 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
  215. 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
  216. 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
  217. 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
  218. 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
  219. 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
  220. 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
  221. S. Faraji and H. Köppel
    J. Chem. Phys. 137 (2012), 22A531
    Multi−state interactions in the 1,2,3−trifluorobenzene radical cation
  222. M. Eroms, M. Jungen and H.−D. Meyer
    J. Phys. Chem. A 116 (2012), 11140
    Vibronic coupling effects in resonat Auger spectra of H2O
  223. 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
  224. Ph. V. Demekhin and L. S. Cederbaum
    Phys. Rev. Lett 108 (2012), 253001
    Dynamic interference of photoelectrons produced by high−frequency laser pulses
  225. 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
  226. 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
  227. 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
  228. 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
  229. 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
  230. I. Baldea
    J. Am. Chem. Soc. 134 (2012), 7958
    Interpretation of stochastic events in single−molecule measurements of conductance and transition voltage spectroscopy
  231. I. Baldea
    Chem. Phys. 400 (2012), 65
    Effects of stochastic fluctuations at molecule−electrode contacts in transition voltage spectroscopy
  232. I. Baldea
    Europhys. Lett. 99 (2012), 47002
    Extending the Newns−Anderson model to allow nanotransport studies through molecules with floppy degrees of freedom
  233. 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
  234. I. Baldea
    Europhys. Lett. 98 (2012), 17010
    Transition voltage spectroscopy in vacuum break junction: Possible role of surface states
  235. I. Baldea and H. Köppel
    Phys. Lett. A 376 (2012), 1645
    A physical limitation of the Wigner ``distribution'' function in molecular transport
  236. I. Baldea and H. Köppel
    Phys. Lett. A 376 (2012), 1472
    Evidence on single−molecule transport in electrostatically−gated molecular transistors
  237. I. Baldea
    J. Phys. Chem. Solids 73 (2012), 1151
    Transition voltage spectroscopy: Artefacts of the Simmons approach
  238. I. Baldea
    Phys. Rev. B 85 (2012), 035442
    Ambipolar transition voltage spectroscopy: Analytical results and experimental agreement
  239. 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
  240. 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
  241. H.−D. Meyer
    WIREs Comp. Mol. Sci. 2 (2012), 351
    Studying molecular quantum dynamics with the multiconfiguration time−dependent Hartree method
  242. V. P. Vysotskiy and L. S. Cederbaum
    J. Chem. Theory Comput. 7 (2011), 320
    Accurate quantum chemistry in single precision arithmetic: Correlation energy
  243. 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
  244. 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
  245. 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
  246. 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
  247. 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
  248. 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
  249. 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
  250. 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
  251. 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
  252. 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
  253. 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
  254. 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
  255. 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
  256. 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
  257. 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
  258. 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
  259. 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
  260. N. V. Kryzhevoi and L. S. Cederbaum
    Angew. Chem. Int. Ed 50 (2011), 1306
    Using pH value to control intermolecular electronic decay
  261. 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
  262. 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
  263. 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
  264. 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
  265. M. Kayanuma, C. Daniel, H. Köppel and E. Gindensperger
    Coord. Chem. Reviews 255 (2011), 2693
    Photophysics of isomerizable Re(I) complexes: A theoretical analysis
  266. 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
  267. 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
  268. 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
  269. 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
  270. 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
  271. 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
  272. 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
  273. S. Gomez−Carrasco and H. Köppel
    Faraday Discuss. 150 (2011), 156−158
    Theoretical treatment of five strongly coupled electronic states of formaldehyde
  274. 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
  275. 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
  276. 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
  277. A. D. Dutoi and L. S. Cederbaum
    J. Phys. Chem. Lett. 2 (2011), 2300
    An excited electron avoiding a positive charge
  278. 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
  279. 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.
  280. W. Domcke, D.R. Yarkony and H. Köppel, eds.
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    World Scientific, Singapore (2011)
  281. 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
  282. 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
  283. 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
  284. 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
  285. 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
  286. 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
  287. 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
  288. 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
  289. 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
  290. 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
  291. A. Bande, K. Gokhberg and L. S. Cederbaum
    J. Chem. Phys. 135 (2011), 144112
    Dynamics of interatomic Coulombic decay in quantum dots
  292. 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'"
  293. 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
  294. 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
  295. 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
  296. 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
  297. 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
  298. 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
  299. 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
  300. 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
  301. T. Sommerfeld, B. Bhattarai, V. P. Vysotkiy and L. S. Cederbaum
    J. Chem. Phys. 133 (2010), 114301
    Correlation−bound anions of NaCl Clusters
  302. 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
  303. 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
  304. 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
  305. J. Schirmer
    Phys. Rev. A 82 (2010), 052510
    Modifying the variational principle in the action−integral−functional derivation of time−dependent density−functional theory
  306. 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
  307. 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
  308. 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
  309. 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
  310. 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
  311. 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
  312. 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
  313. 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
  314. 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
  315. 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
  316. 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
  317. 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
  318. K. Gokhberg and L. S. Cederbaum
    Phys. Rev. A 82 (2010), 052707
    Interatomic Coulombic electron capture
  319. 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
  320. E. Gindensperger, H. Köppel and C. Daniel
    Chem. Commun. 46 (2010), 8225
    Mechanism of visible−light photoisomerization of a rhenium(I) carbonyl−diimine complex
  321. 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
  322. 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
  323. M. Eroms, M. Jungen and H.−D. Meyer
    J. Phys. Chem. A 114 (2010), 9893
    Nonadiabatic Nuclear Dynamics after Valence Ionization of H2O
  324. 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
  325. 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
  326. 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
  327. 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
  328. 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
  329. 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
  330. 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
  331. I. Bâldea and H. Köppel
    Phys. Rev. B 81 (2010), 193401
    Sources of negative differential resistance in electric nanotransport
  332. I. Baldea
    Chem. Phys. 377 (2010), 15
    Revealing molecular orbital gating by transition voltage spectroscopy
  333. 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
  334. 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' ''
  335. 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
  336. 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
  337. 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
  338. 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
  339. 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
  340. 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
  341. 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)]
  342. 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
  343. 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
  344. 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
  345. 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
  346. 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
  347. 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
  348. 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
  349. 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
  350. J. Schirmer and F. Mertins
    Theor. Chem. Acc. 125 (2009), 145
    Review of biorthogonal coupled cluster representations for electronic excitation
  351. 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
  352. 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
  353. 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
  354. 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
  355. 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
  356. 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
  357. 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''
  358. 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
  359. 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
  360. H.−D. Meyer, F. Gatti and G. A. Worth, eds.
    Multidimensional Quantum Dynamics: MCTDH Theory and Applications,
    Wiley−VCH, Weinheim (2009)
  361. M. Mayle, I. Lesanovsky and P. Schmelcher
    Phys. Rev. A (R) 79 (2009), 041403
    Mapping the Composite Character of Magnetically Trapped Rydberg Atoms
  362. 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
  363. 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
  364. A. I. Kuleff and A. Dreuw
    J. Chem. Phys. 130 (2009), 034102
    Theoretical description of charge migration with a single Slater−determinant and beyond
  365. N. V. Kryzhevoi and L. S. Cederbaum
    J. Chem. Phys. 130 (2009), 084302
    Core ionization of Na+ microsolvated in water and ammonia
  366. 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
  367. 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)
  368. 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
  369. R. Gonzalez−Ferez and P. Schmelcher
    New J. Phys. 11 (2009), 055013
    Impact of Electric Fields on Highly Excited Rovibrational States of Polar Dimers
  370. K. Gokhberg and L. S. Cederbaum
    J. Phys. B 42 (2009), 231001
    Environment assisted electron capture
  371. 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
  372. 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
  373. 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
  374. 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
  375. 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
  376. Ph. V. Demekhin, S. Scheit and L. S. Cederbaum
    J. Chem. Phys. 131 (2009), 164301
    Recoil by Auger electrons: Theory and application
  377. 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
  378. L. S. Cederbaum and M. Basler
    Phys. Rev. Lett. 103 (2009), 133001
    Exploring nonadiabatic effects by recoil of fast photoelectrons
  379. 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
  380. 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
  381. I. Baldea and H. Köppel
    Phys. Rev. B 79 (2009), 165317
    Studying the Single−Electron Transistor by Photoionization
  382. I. Baldea and H. Köppel
    Phys. Rev. B 80 (2009), 165301
    Critical analysis of a variational method used to describe molecular electronic transport
  383. 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
  384. 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
  385. 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
  386. 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
  387. 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
  388. S. Zöllner, H.−D. Meyer and P. Schmelcher
    Phys. Rev. A 78 (2008), 013629
    Composite fermionization of one−dimensional Bose−Bose mixtures
  389. S. Zöllner, H.−D. Meyer and P. Schmelcher
    Phys. Rev. A 78 (2008), 013621
    Tunneling dynamics of a few bosons in a double well
  390. 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
  391. 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
  392. 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
  393. E. Tempfli, S. Zöllner and P. Schmelcher
    New J. Phys. 10 (2008), 103021
    Excitations of attractive 1D bosons: binding versus fermionization
  394. 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
  395. 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
  396. 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+
  397. 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'"
  398. 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
  399. S. Saeidian, V. S. Melezhik and P. Schmelcher
    Phys. Rev. A 77 (2008), 042721
    Multi−Channel Atomic Scattering and Confinement−Induced Resonances in Waveguides
  400. 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
  401. 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
  402. 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.
  403. 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.
  404. 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
  405. 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
  406. N. Moiseyev, M. Sindelka and L. S. Cederbaum
    J. Phys. B 41 (2008), 221001
    Laser−induced conical intersections in molecular optical lattices
  407. S. Middelkamp, I. Lesanovsky and P. Schmelcher
    Europhys. Lett. 84 (2008), 40011
    Interaction−Induced Trapping of Magnetically Insensitive Bose−Einstein Condensates
  408. 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
  409. S. Lünnemann, A. I. Kuleff and L. S. Cederbaum
    Chem. Phys. Lett. 450 (2008), 232
    Ultrafast charge migration in 2−phenylethyl−N,N−dimethylamine
  410. 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
  411. F. Lenz, F. K. Diakonos and P. Schmelcher
    Phys. Rev. Lett. 100 (2008), 014103
    Tunable Fermi Acceleration in the Driven Elliptical Billiard
  412. 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
  413. 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
  414. 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
  415. S. Klaiman and L. S. Cederbaum
    Phys. Rev. A 78 (2008), 062113
    Non−Hermitian Hamiltonians with space−time symmetry
  416. 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
  417. 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
  418. 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
  419. 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
  420. 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
  421. 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
  422. 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.
  423. 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
  424. 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.
  425. S. Faraji and H. Köppel
    J. Chem. Phys. 129 (2008), 074310
    Multistate vibronic interactions in difluorobenzene radical cations. I Electronic structure calculations.
  426. 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
  427. 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
  428. L. S. Cederbaum
    J. Chem. Phys. 128 (2008), 124101
    Born−Oppenheimer approximation and beyond for time−dependent electronic processes
  429. 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
  430. D. Buchholz, P. Drouvelis and P. Schmelcher
    Europhys. Lett. 81 (2008), 37001
    Tunable Transmission via Quantum State Evolution in Oval Quantum Dots
  431. 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
  432. 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
  433. 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
  434. 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
  435. 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
  436. 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
  437. 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
  438. 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
  439. 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
  440. 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
  441. 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
  442. 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
  443. 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
  444. 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
  445. 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
  446. 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
  447. 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
  448. 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
  449. U. Schmidt, I. Lesanovsky and P. Schmelcher
    J. Phys. B 40 (2007), 1003
    Ultracold Rydberg Atoms in a Magneto−Electric Trap
  450. J. Schirmer and A. Dreuw
    Phys. Rev. A 75 (2007), 022513
    Critique of the foundations of time−dependent density−functional theory
  451. P. Sanchez−Moreno, R. Gonzalez−Ferez and P. Schmelcher
    Phys. Rev. A 76 (2007), 053413
    Molecular Rotational Dynamics in Nonadiabatically Switching Homogeneous Electric Fields
  452. 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
  453. S. Saeidian, I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 76 (2007), 023424
    Atomic Hyperfine Resonances in Magnetic Quadrupole Fields
  454. 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
  455. 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
  456. M. Pernpointner
    Chem. Phys. 338 (2007), 44
    A fully relativistic study of the Pt(CN)42− and Pt(CN)62− photodetachment spectra
  457. M. Pernpointner and L. S. Cederbaum
    J. Chem. Phys. 126 (2007), 144310
    PtF62− dianion and its detachment spectrum: A fully relativistic study
  458. 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
  459. 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
  460. B. S. Monozon and P. Schmelcher
    Phys. Rev. B 75 (2007), 245207
    Multi−Photon Exciton Absorption in a Superlattice Exposed to dc Electric Fields
  461. 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
  462. 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
  463. V. S. Melezhik, J. Kim and P. Schmelcher
    Phys. Rev. A 76 (2007), 053611
    Wave Packet Dynamical Analysis of Ultracold Scattering in Cylindrical Waveguides
  464. M. Mayle, B. Hezel, I. Lesanovsky and P. Schmelcher
    Phys. Rev. Lett. 99 (2007), 113004
    One−Dimensional Rydberg Gas in a Magnetoelectric Trap
  465. 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
  466. 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
  467. 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)
  468. 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
  469. 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
  470. F. Lenz, F. K. Diakonos and P. Schmelcher
    Europhys. Lett. 79 (2007), 20002
    Scattering Dynamics of Driven Closed Billiards
  471. F. Lenz, F. K. Diakonos and P. Schmelcher
    Phys. Rev. E 76 (2007), 066213
    Classical Dynamics of the Time−Dependent Elliptical Billiard
  472. A. I. Kuleff and L. S. Cederbaum
    Chem. Phys. 338 (2007), 320
    Charge migration in different conformers of glycine: The role of nuclear geometry
  473. A. I. Kuleff and L. S. Cederbaum
    Phys. Rev. Lett. 98 (2007), 083201
    Tracing ultrafast Interatomic electronic decay processes in real time and space
  474. 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
  475. 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)
  476. J. I. Kim, V. S. Melezhik and P. Schmelcher
    Rep. Prog. Theo. Phys. 166 (2007), 159
    Quantum Confined Scattering Beyond the S−Wave Approximation
  477. B. Hezel, I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 76 (2007), 053417
    Ultracold Rydberg Atoms in a Ioffe−Pritchard Trap
  478. 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
  479. 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
  480. R. Gonzalez−Farez, M. Mayle and P. Schmelcher
    Europhys. Lett. 78 (2007), 53001
    Formation of Ultracold Heteronuclear Dimers in Electric Fields
  481. R. Gonzalez−Ferez, M. Weidemüller and P. Schmelcher
    Phys. Rev. A 76 (2007), 023402
    Photoassociation of Cold Heteronuclear Dimers in Static Electric Fields
  482. K. Gokhberg, V. Averbukh and L. S. Cederbaum
    J. Chem. Phys. 126 (2007), 154107
    Decay rates of inner−valence excitations in noble gas atoms
  483. 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
  484. 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
  485. 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
  486. 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
  487. P. Drouvelis, G. Fagas and P. Schmelcher
    J. Phys. Cond. Mat. 19 (2007), 326209
    Magnetically Controlled Current Flow in Coupled−Dot Arrays
  488. 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
  489. 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
  490. J. Breidbach and L. S. Cederbaum
    J. Chem. Phys. 126 (2007), 034101
    Migration of holes: Numerical algorithms and implemantation
  491. 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
  492. 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
  493. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 75 (2007), 052507
    Theory of magnetically induced anions
  494. 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
  495. I. Baldea and L. S. Cederbaum
    Phys. Rev. B 75 (2007), 125323
    Hidden quasisymmetry in the optical absorption of quantum dot nanorings
  496. 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
  497. 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
  498. 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
  499. 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
  500. 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
  501. 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
  502. 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
  503. 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
  504. S. Zöllner, H.−D. Meyer and P. Schmelcher
    Phys. Rev. A 74 (2006), 053612
    Ultracold Few−Boson Systems in a Double−Well Trap
  505. 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
  506. 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
  507. 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
  508. A. B. Trofimov, I. L. Krivdina, J. Weller and J. Schirmer
    Chem. Phys. 329 (2006), 1
    Algebraic−diagrammatic propagator approach to molecular response properties
  509. 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
  510. 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?
  511. 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
  512. 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
  513. 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
  514. 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
  515. M. Pernpointner
    Chem. Phys. 329 (2006), 256
    Relativistic Calculation of the SeH2 and TeH2 Photoelectron Spectra
  516. 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
  517. 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
  518. I. B. Müller and l. S. Cederbaum
    J. Chem. Phys. 125 (2006), 204305
    Ionization and double ionization of small water clusters
  519. 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
  520. 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
  521. S. Saeidian I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 74 (2006), 065402
    Negative Energy Resonances of Bosons in Magnetic Quadrupole Traps
  522. 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
  523. 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
  524. H. Köppel and B. Schubert
    Mol. Phys. 104 (2006), 1069−1079
    The concept of regularized diabatic states for a general conical intersection
  525. 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
  526. J. Kim, V. S. Melezhik and P. Schmelcher
    Phys. Rev. Lett. 97 (2006), 193203
    Suppression of Quantum Scattering in Strongly Confined Systems
  527. 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
  528. M. Ivanov and P. Schmelcher
    J. Phys. Cond. Mat. 18 (2006), 2963
    Electronic Transmission Through a Coupled Quantum Dot and Ring
  529. B. Hezel, I. Lesanovsky and P. Schmelcher
    Phys. Rev. Lett. 97 (2006), 223001
    Controlling Ultracold Rydberg Atoms in the Quantum Regime
  530. 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
  531. R. Gonzalez−Ferez, M. Mayle and P. Schmelcher
    Chem. Phys. 329 (2006), 203
    Rovibrational Dynamics of LiCs Dimers in Strong Electric Fields
  532. K. Gokhberg, V. Averbukh and L. S. Cederbaum
    J. Chem. Phys. 124 (2006), 144315
    Interatomic decay of inner−valence−excited states in clusters
  533. E. Gindensperger, I. Burghardt and L. S. Cederbaum
    J. Chem. Phys. 124 (2006), 144104
    Short−time dynamics through conical intersections in macrosystems. II. Applications
  534. 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
  535. S. Feuerbacher and L. S. Cederbaum
    J. Chem. Phys. 124 (2006), 044320
    A small and stable covalently bound trianion
  536. P. S. Drouvelis, P. Schmelcher and P. Bastian
    Comp. Phys. 215 (2006), 741
    Parallel Implementation of the Recursive Greens Function Method
  537. 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)
  538. 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
  539. 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
  540. 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
  541. D. Buchholz, P. S. Drouvelis and P. Schmelcher
    Phys. Rev. B 73 (2006), 235346
    Single electron Quantum dot in a spatially periodic magnetic field
  542. 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?
  543. 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
  544. 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
  545. 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
  546. 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
  547. 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
  548. V. Averbukh and L. S. Cederbaum
    Phys. Rev. Lett. 96 (2006), 053401
    Interatomic electronic decay in endohedral fullerenes
  549. 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
  550. 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
  551. S. Zöllner, P. Schmelcher and H.−D. Meyer
    Europhys. Lett. 71 (2005), 373
    Multi−electron giant dipole resonances in crossed fields
  552. 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
  553. 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
  554. 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
  555. 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
  556. 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
  557. 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
  558. A. I. Streltsov and L. S. Cederbaum
    Phys. Rev. A 71 (2005), 063612
    Properties of fragmented repulsive condensates
  559. 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
  560. S. Scheit, H.−D. Meyer and L. S. Cederbaum
    Journal of Pysics: Conference series 4 (2005), 277
    The interatomic Coulombic decay in Ne2
  561. R. Santra and L. S. Cederbaum
    Phys. Rev. Lett. 94 (2005), 199901
    Erratum: Coulombic energy transfer and triple ionization in clusters
  562. 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
  563. 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
  564. 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
  565. 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
  566. M. Pernpointner and S. Knecht
    Chem. Phys. Lett. 410 (2005), 423
    The Influence of Relativistic Effects on the Ionization Spectra of the Alkali Iodides
  567. 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)
  568. M. Pernpointner
    J. Phys. B. 38 (2005), 1955
    The effect of the Gaunt interaction on the molecular ionization spectra of CO, H2S and TlH
  569. 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−
  570. I. B. Müller and L. S. Cederbaum
    J. Chem. Phys. 122 (2005), 094305
    Electronic decay following ionization of aqueous Li+ microsolvation clusters
  571. B. Monozon and P. Schmelcher
    Phys. Rev. B 71 (2005), 085302
    Resonant Impurity and Exciton States in Narrow Quantum Wells
  572. 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
  573. H.−D. Meyer
    Journal of Pysics: Conference series 4 (2005), 66
    Dynamics of excited molecular states
  574. 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+
  575. 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
  576. 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
  577. 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
  578. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
    J. Phys. B Spec. Iss. 38 (2005), 151−170
    Rydberg Atoms in Magnetic Quadrupole Fields
  579. I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 72 (2005), 053410
    Quantum States of Ultracold Electronically Excited Atoms in a Magnetic Quadrupole Trap
  580. I. Lesanovsky and P. Schmelcher
    Phys. Rev. Lett. 95 (2005), 053001
    Magnetic Trapping of Ultracold Rydberg Atoms
  581. 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
  582. I. B. Müller und L. S. Cederbaum
    J. Phys. Chem. A 109 (2005), 10424−10437
    Microsolvation fo F in Water
  583. A. I. Kuleff, J. Breidbach and L. S. Cederbaum
    J. Chem. Phys. 123 (2005), 044111
    Multielectron wave−packet propagation: General theory and application
  584. 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
  585. 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
  586. 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
  587. J. Kim, J. Schmiedmayer and P. Schmelcher
    Phys. Rev. A 72 (2005), 042711
    Quantum Scattering in Strong Cylindrical Confinement
  588. 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
  589. 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
  590. 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
  591. 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
  592. 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
  593. R. Gonzalez−Ferez and P. Schmelcher:
    Eur. Phys. Lett. 72 (2005), 555
    Rotation−Vibration Mixing of Heteronuclear Dimers in Electric Fields
  594. R. Gonzalez−Ferez and P. Schmelcher
    Phys. Rev. A 71 (2005), 033416
    Electric Field−Induced Adiabaticity in the Rovibrational Dynamics of Heteronuclear Diatomic Molecules
  595. 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
  596. 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.
  597. 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
  598. 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
  599. S. Feuerbacher and L. S. Cederbaum
    J. Phys. Chem. A 109 (2005), 11401
    Stable and long−lived trianions in the gas phase
  600. B. Feuerbacher and L. S. Cederbaum
    Phys. Rev. A 72 (2005), 022731
    Direct diagrammatic construction scheme for the inelastic propagator between simply excited states
  601. B. Feuerbacher and L. S. Cederbaum
    Phys. Rev. A 72 (2005), 012705
    Diagrammatic approaches to the inelastic propagator
  602. L. S. Cederbaum, E. Gindensperger and I. Burghardt
    Phys. Rev. Lett. 94 (2005), 113003
    Short−time dynamics through conical intersections in macrosystems
  603. I. Burghardt, L. S. Cederbaum and J. T. Hynes
    Comp. Phys. Communications 169 (2005), 95
    Ultrafast excited−state charge transfer at a conical intersection
  604. J. Breidbach and L. S. Cederbaum
    Phys. Rev. Lett. 94 (2005), 033901
    Universial attosecond response to the removal of an electron
  605. H. Bock, I. Lesanovsky and P. Schmelcher
    J. Phys. B 38 (2005), 893
    Neutral Two−Body Systems in Inhomogeneous Magnetic Fields: The Quadrupole Configuration
  606. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
    Phys. Rev. Lett. 95 (2005), 113002
    Quantum states of magnetically induced anions
  607. R. Baer, Y. Kurzweil and L. S. Cederbaum
    Is. J. Chem. 45 (2005), 161
    Time−dependent density functional theory for nonadiabatic processes
  608. 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
  609. 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
  610. O. E. Alon and L. S. Cederbaum
    Phys. Rev. Lett. 95 (2005), 140402
    Pathway from condensation via fragmentation to fermionization of cold bosonic systems
  611. O. E. Alon, A. Streltsov and L. S. Cederbaum
    Phys. Rev. B 71 (2005), 125113
    Interacting fermions and bosons with definite total momentum
  612. 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
  613. 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
  614. G. A. Worth and L. S. Cederbaum
    Ann. Rev. Phys. Chem. 55 (2004), 127
    Beyond Born−Oppenheimer: Molecular dynamics through a conical intersection
  615. 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
  616. 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
  617. 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
  618. T. Sommerfeld, H.−D. Meyer and L. S. Cederbaum
    Phys. Chem. Chem. Phys. 6 (2004), 42
    Potential energy surface of the CO2 anion
  619. T. Sommerfeld
    J. Chem. Phys. 121 (2004), 4097
    Multipole−bound states of Succinonitrile and other dicarbonitriles
  620. 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
  621. P. Schmelcher and J. Schirmer
    in: Encyclopedia of Nonlinear Science, ed. A. Scott, Fitzroy Dearborn, London (2004)
    Hartree Approximation
  622. J. Schirmer and A. B. Trofimov
    J. Chem. Phys. 120 (2004), 11449−11464
    Intermediate state representation approach to physical properties of electronically excited molecules
  623. 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
  624. 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
  625. 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
  626. D. Pingel, P. Schmelcher and F. K. Diakonos
    Phys. Rep. 400 (2004), 67
    Stabilisation Transformations: A Tool to Solve Nonlinear Problems
  627. 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.
  628. 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.
  629. 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
  630. 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
  631. 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
  632. 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
  633. 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
  634. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
    Europhysics Letters 65 (2004), 478
    Rydberg Atoms in Magnetic Quadrupole Traps
  635. I. Lesanovsky and P. Schmelcher
    Phys. Rev. A 70 (2004), 063604
    Spectral Properties and Lifetimes of Neutral Spin 12 Fermions in a Magnetic Guide
  636. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
    Phys. Rev. A 69 (2004), 053405
    Electronic Structure of Atoms in Magnetic Quadrupole Fields
  637. I. Lesanovsky, J. Schmiedmayer and P. Schmelcher
    Phys. Rev. A 70 (2004), 043409
    Rydberg Atoms in a Magnetic Guide
  638. 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
  639. 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
  640. 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
  641. 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
  642. H. Köppel
    Faraday Discuss. 127 (2004), 35−47
    Regularized diabatic states and quantum dynamics on intersecting potential energy surfaces
  643. 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
  644. 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
  645. W. Domcke, D. R. Yarkony and H. Köppel, eds.
    Conical Intersections, Advanced Series in Physical Chemistry 15
    World Scientific, NJ, Singapore (2004)
  646. 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
  647. 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
  648. 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.
  649. 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
  650. R. Gonzalez and P. Schmelcher
    Physical Review A 69 (2004), 023402
    Rovibrational Spectra of Diatomic Molecules in Strong Electric Fields: The Adiabatic Regime
  651. 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
  652. S. Feuerbach, T. Sommerfeld and L. S. Cederbaum
    J. Chem. Phys. 121 (2004), 6628
    Extrapolating bound state data of anions into the metastable domain
  653. S. Feuerbacher, T. Sommerfeld and L. S. Cederbaum
    J. Chem. Phys. 121 (2004), 6624
    Extrapolating bound state data of anions into the metastable domain
  654. 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
  655. 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
  656. P. S. Drouvelis, P. Schmelcher and F. K. Diakonos
    J. Phys. Cond. Mat. 16 (2004), 3633
    Two−Electron Anisotropic Quantum Dots in Magnetic Fields
  657. P. S. Drouvelis, P. Schmelcher and F. K. Diakonos
    Phys. Rev. B 69 (2004), 155312
    Probing the Shape of Quantum Dots with Magnetic Fields
  658. 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
  659. 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
  660. L. S. Cederbaum
    in: Conical Intersections, ed. W. Domcke, D.R. Yarkony and H. Köppel, World Scientific, NJ, (2004)
    Born−Oppenheimer approximation and beyond
  661. L. S. Cederbaum and A. I. Streltsov
    Phys. Rev. A 70 (2004), 023610
    Self−consistent fragmented excited states of trapped condensates
  662. 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
  663. Ch. Buth, R. Santra and L. S. Cederbaum
    Phys. Rev. A 69 (2004), 032505
    Non−Hermitian Rayleigh−Schrödinger perturbation theory
  664. I. Burghardt, L. S. Cederbaum and J. T. Hynes
    Faraday Discuss. 127 (2004), 395
    Environmental effects on a conical intersection: A model study
  665. 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
  666. 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
  667. I. Baldea, A. K. Gupta, L. S. Cederbaum and N. Moiseyev
    Phys. Rev. B 69 (2004), 245311
    High−harmonic generation by quantum−dot nanorings
  668. I. Baldea and H. Köppel
    Eur. Phys. J. D 30 (2004), 209−215
    Three−dimensional vibronic analysis of the B' system of Na3
  669. 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
  670. V. Averbukh, I. B. Müller and L. S. Cederbaum
    Phys. Rev. Lett. 93 (2004), 263002
    Mechanism of interatomic Coulombic decay in clusters
  671. 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
  672. O. A. Al−Hujaj and P. Schmelcher
    Phys. Rev. A 70 (2004), 23411
    Beryllium in Strong Magnetic Fields
  673. O. A. Al−Hujaj and P. Schmelcher
    Phys. Rev. A 70 (2004), 033411
    Lithium Atom in a Strong Magnetic Field
  674. 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
  675. 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
  676. 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.
  677. 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
  678. 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
  679. T. Sommerfeld
    J. Phys. B 36 (2003), L127
    A fresh look at the 2A1 CO2 potential energy surface.
  680. T. Sommerfeld, S. Feuerbacher, M. Pernpointner and L. S. Cederbaum
    J. Chem. Phys. 118 (2003), 1747
    Electronic structure of isolated dianions
  681. 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
  682. 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
  683. P. Schlagheck, D. Pingel and P. Schmelcher
    Physical Review A 68 (2003), 053410
    Collinear Helium Under Periodic Driving: Stabilization of the Asymmetric Stretch Orbit
  684. 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
  685. R. Santra and L. S. Cederbaum
    Phys. Rev. Lett. 90 (2003), 153401
    Coulombic energy transfer and triple ionization in clusters
  686. 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
  687. 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
  688. 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
  689. 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
  690. 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
  691. 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
  692. 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
  693. 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
  694. N. V. Kryzhevoi, N. V. Dobrodey and L. S. Cederbaum
    J. Chem. Phys. 118 (2003), 2081
    Equivalent core model: Extended theory and applications
  695. 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
  696. 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
  697. 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
  698. R. Gonzalez and P. Schmelcher
    European Physical Journal D 23 (2003), 189
    The Sodium Atom in a Strong Magnetic Field
  699. 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
  700. 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.
  701. P. S. Drouvelis, P. Schmelcher and F. K. Diakonos
    Europhysics Letters 64 (2003), 232
    Two−Electron Anisotropic Quantum Dots
  702. L. S. Cederbaum and A. I. Streltsov
    Phys. Lett. A 318 (2003), 564
    Best mean−field for condensates
  703. 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
  704. 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
  705. Ch. Buth, R. Santra and L. S. Cederbaum
    J. Chem. Phys. 119 (2003), 7763
    Ionization of the xenon fluorides
  706. 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
  707. J. Breidbach and L. S. Cederbaum
    J. Chem. Phys. 118 (2003), 3983
    Migration of holes: Formalism, mechanisms, and illustrative applications
  708. M. Bittner and H. Köppel
    Phys. Chem. Chem. Phys. 5 (2003), 4604−4611
    Reaction path description of the vinylidene−acetylene isomerization
  709. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
    Phys. Chem. Chem. Phys. 5 (2003), 4981
    Magnetically induced anions
  710. V. G. Bezchastnov and L. S. Cederbaum
    Phys. Rev. A 68 (2003), 012501
    Moving magnetically induced anions: Possibility of a description of quantum states
  711. 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
  712. O. E. Alon
    J. Phys.: Conds. Matt. 14 (2003), 2489
    From spatial symmetry to vibrational spectroscopy of single−walled nanotubes
  713. O. E. Alon
    Phys. Rev. B 67 (2003), 121103
    Bulk photogalvanic effects beyond second order
  714. O. E. Alon and L. S. Cederbaum
    Phys. Rev. B 68 (2003), 033105
    Hellman−Feynman theorem at degeneracies
  715. O. A. Al−Hujaj and P. Schmelcher
    Physical Review A 68 (2003), 053403
    Electromagnetic Transitions of the Helium Atom in Superstrong Magnetic Fields
  716. O. A. Al−Hujaj and P. Schmelcher
    Physical Review A 67 (2003), 023403
    The Helium Atom in Superstrong Magnetic Fields
  717. 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−
  718. M. N. R. Wohlfarth and L. S. Cederbaum
    J. Chem. Phys. 116 (2002), 8723
    Systematic corrections to the equivalent core model
  719. M. N. R. Wohlfarth and L. S. Cederbaum
    Phys. Rev. A 65 (2002), 052703
    Ionization of core electrons
  720. 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+
  721. 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
  722. 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
  723. 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.
  724. T. Sommerfeld
    PCCP 4 (2002), 2511
    Coupling between dipole−bound and valence states: the Nitromethane anion
  725. 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
  726. T. Sommerfeld
    J. Am. Chem. Soc. 124 (2002), 1119
    A fresh look at aromatic dianions
  727. 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
  728. R. Santra and L. S. Cederbaum
    Phys. Rep. 368 (2002), 1
    Non−Hermitian electronic theory and applications to clusters
  729. 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
  730. 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
  731. M. Pernpointner
    J. Phys. B: At. Mol. Opt. Phys. 35 (2002), 383
    The effect of the Gaunt interaction on the electric field gradient
  732. 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
  733. M. Nest and H.−D. Meyer
    Chem. Phys. Lett. 352 (2002), 486−490
    Improving the mapping mechanism of the mapped Fourier method
  734. 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
  735. 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.
  736. 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
  737. 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
  738. 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
  739. M. V. Ivanov and P. Schmelcher
    Physical Review B 65 (2002), 205313
    Two−Dimensional Negative Donors in Magnetic Fields
  740. 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
  741. 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)
  742. 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
  743. 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
  744. S. Feuerbacher, A. Dreuw and L. S. Cederbaum
    J. Am. Chem. Soc. 124 (2002), 3163
    Cyclic carbon cluster dianions and their aromaticity
  745. A. Dreuw, T. Sommerfeld and L. S. Cederbaum
    J. Chem. Phys. 116 (2002), 6039
    Short− and long−lived electronic states of BF
  746. 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
  747. A. Dreuw and L. S. Cederbaum
    Chem. Rev. 102 (2002), 181
    Multiply charged anions in the gas phase
  748. 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−
  749. A. Dreuw, N. Zint and L. S. Cederbaum
    J. Am. Chem. Soc. 124 (2002), 10903
    Dianionic tetraborates do exist as stable entities
  750. 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
  751. 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
  752. 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
  753. 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
  754. 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
  755. 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
  756. V. G. Bezchastnov, P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 65 (2002), 042512
    Magnetically induced anions: Classical dynamics
  757. V. G. Bezchastnov, L. S. Cederbaum and P. Schmelcher
    Phys. Rev. A 65 (2002), 032501
    Magnetically induced anions: Basic theory
  758. W. Becken and P. Schmelcher
    Physical Review A 65 (2002), 033416
    Electromagnetic Transitions of the Helium Atom in Strong Magnetic Fields
  759. I. Baldea and L. S. Cederbaum
    . Phys. Rev. Lett. 89 (2002), 133003
    Orbital picture of ionization and its breakdown in nanoarrays of quantum dots
  760. O. E. Alon and L. S. Cederbaum
    J. Phys. A 35 (2002), L 303
    Scattering from open−shell many−body targets
  761. 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
  762. G. A. Worth and L. S. Cederbaum
    Chem. Phys. Lett. 348 (2001), 477
    Electron transfer along a conjugated chain: the allene radical cation
  763. G. A. Worth and L. S. Cederbaum
    Chem. Phys. Lett. 338 (2001), 219
    Mediation of ultrafast electron transfer in biological systems by conical intersections
  764. 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
  765. 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
  766. 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.
  767. T. Sommerfeld
    Computer Phys. Comm. 2 (2001), 677
    Electron−induced chemistry of 5−Chlorouracil
  768. T. Sommerfeld
    PCCP 3 (2001), 2394
    FCN and FNC radical anions
  769. T. Sommerfeld and R. Santra
    Int. J. Quant. Chem. 82 (2001), 218
    An efficient method to perform CAP/CI calculations for temporary anions
  770. R. Schork and H. Köppel
    Phys. Chem. Chem. Phys. 3 (2001), 891−894
    Theoretical investigation of the photoelectron spectra of the vinylidene anions
  771. 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
  772. P. Schmelcher
    Physical Review A 64 (2001), 063412
    Giant Dipole States of Multi−Electron Atoms in Crossed Fields
  773. 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
  774. J. Schirmer and A. Thiel
    J. Chem. Phys. 115 (2001), 10621
    An intermediate state representation approach to K−shell ionization in molecules. I. Theory
  775. 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
  776. R. Santra, J. Zobeley, L. S. Cederbaum and F. Tarantelli
    J. Electr. Spetr. Relat. Phen. 114 (2001), 41
    Intermolecular Coulombic decay of clusters
  777. R. Santra, J. Zobely and L. S. Cederbaum
    Phys. Rev. B 64 (2001), 245104
    Electronic decay of valence holes in clusters and condensed matter
  778. 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
  779. D. Pingel, P. Schmelcher and F. K. Diakonos
    Physical Review E 64 (2001), 026214
    Detecting Unstable Periodic Orbits in Chaotic Continuous−Time Dynamical Systems
  780. 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
  781. 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
  782. 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
  783. 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
  784. 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
  785. 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
  786. H. Köppel, J. Gronki and S. Mahapatra
    J. Chem. Phys. 115 (2001), 2377−2388
    Construction scheme for regularized diabatic states
  787. 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
  788. 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
  789. M. V. Ivanov and P. Schmelcher
    European Physical Journal D 14 (2001), 279
    The Beryllium Atom and Beryllium Positive Ion in Strong Magnetic Fields
  790. M. V. Ivanov and P. Schmelcher
    Journal of Physics B 34 (2001), 2031
    The Boron Atom and Boron Positive Ion in Strong Magnetic Fields
  791. 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)
  792. 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.
  793. 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
  794. A. Dreuw and L. S. Cederbaum
    Phys. Rev. A 63 (2001), 049904
    Nature of the repulsive Coulomb barrier in multiply charged negative ions
  795. A. Dreuw and L. S. Cederbaum
    Phys. Rev. A 63 (2001), 012501
    Nature of the repulsive Coulomb barrier in multiply charged negative ions
  796. N. Dobrodey, A. I. Streltsov and L. S. Cederbaum
    Chem. Phys. Lett. 339 (2001), 263
    Interatomic response to core ionization of atomic clusters
  797. 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
  798. L. S. Cederbaum
    Ann. Phys. (N.Y.) 291 (2001), 169
    Optical potential and propagators for elastic and inelastic scattering from many−body targets
  799. 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
  800. I. Burghardt and L. S. Cederbaum
    J. Chem. Phys. 115 (2001), 10312
    Hydrodynamic equations for mixed quantum states. II. Coupled electronic states
  801. I. Burghardt and L. S. Cederbaum
    J. Chem. Phys. 115 (2001), 10303
    Hydrodynamic equations for mixed quantum states. I. General formulation
  802. J. Brand and L. S. Cederbaum
    Adv. Quant. Chem. 38 (2001), 65
    Theory of extended two−particle Green's functions
  803. V. G. Bezchastnov, L. S. Cederbaum and P. Schmelcher
    Phys. Rev. Lett. 86 (2001), 5450
    Stability of negatively charged ions moving in magnetic field
  804. 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.
  805. W. Becken and P. Schmelcher
    Physical Review A 63 (2001), 053412
    Higher Angular Momentum States of the Helium Atom in a Strong Magnetic Field
  806. I. Baldea, H. Köppel and L. S. Cederbaum
    Synthetic Metals 119 (2001), 561
    Tunneling−driven quantum phase transitions in mesoscopic commensurate systems
  807. 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
  808. I. Baldea, H. Köppel and L. S. Cederbaum
    Phys. Rev. B 63 (2001), 155308
    Symmetry−adapted BCS−type trial wave functions for mesoscopic rings
  809. 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
  810. 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
  811. T. Sommerfeld
    Phys. Rev. Lett. 85 (2000), 956
    On resonance states of atomic di−anions
  812. T. Sommerfeld
    J. Phys. Chem. A 104 (2000), 8806
    Lifetimes of metastable dianions: CN22−, C42−, and CO32−
  813. 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.
  814. T. Sommerfeld and F. Tarantelli
    J. Chem. Phys. 112 (2000), 2106
    Subspace Iteration Techniques for the Calculation of Resonances using Complex Symmetric Hamiltonians
  815. R. Schork and H. Köppel
    Chem. Phys. Lett. 326 (2000), 277−282
    Unexpected stability of vinylidene from 5D ab initio quantum−dynamical calculations
  816. 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
  817. P. Schmelcher and L. S. Cederbaum
    Comments on Atomic and Molecular Physics D2 (2000), 123
    Magnetic field induced two−body phenomena in atoms
  818. 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
  819. 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
  820. 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
  821. A. Raab and H.−D. Meyer
    Theor. Chem. Acc. 104 (2000), 358−369
    Multiconfigurational expansions of density operators: equations of motion and their properties
  822. 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.
  823. 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
  824. V. S. Melezhik and P. Schmelcher
    Physical Review Letters 84 (2000), 1870
    Quantum Energy Flow in Atomic Ions Moving in Magnetic Fields
  825. 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
  826. 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
  827. 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
  828. H. Köppel, M. Döscher and S. Mahapatra
    Int. J. Quant. Chem. 80 (2000), 942−949
    Femtosecond wavepacket dynamics on strongly coupled potential energy surfaces
  829. 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
  830. U. Höper, P. Botschwina and H. Köppel
    J. Chem. Phys. 112 (2000), 4132−4142
    Theoretical study of the Jahn−Teller effect in X2E CH3O
  831. 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
  832. 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
  833. 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
  834. F. K. Diakonos, D. Pingel and P. Schmelcher
    Physical Review E 62 (2000), 4413
    Analyzing Lyapunov Spectra of Chaotic Dynamical Systems
  835. 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
  836. 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)
  837. 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.
  838. L. S. Cederbaum
    Phys. Rev. Lett. 85 (2000), 3072
    Optical Potentials for inelastic scattering from many−body targets
  839. 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
  840. W. Becken and P. Schmelcher
    Journal of Physics B 33 (2000), 545
    Nonzero Angular Momentum States of the Helium Atom in Strong Magnetic Fields
  841. 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
  842. 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.
  843. 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
  844. 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
  845. 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
  846. 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
  847. 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
  848. A. B. Trofimov, G. Stelter and J. Schirmer
    J. Chem. Phys. 111 (1999), 9982−9999
    A consistent third−order propagator method for electronic excitation.
  849. A. Thiel and H. Köppel
    J. Chem. Phys. 110 (1999), 9371−9383
    Proposal and numerical test of a simple diabatization scheme.
  850. T. Sommerfeld
    Chem. Phys. Lett. 304 (1999), 98
    On Long−lived HCCH States
  851. 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
  852. 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
  853. 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.
  854. 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
  855. 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.
  856. 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.
  857. D. Pingel, P. Schmelcher and F. K. Diakonos
    CHAOS 9 (1999), 357
    General Theory and Examples of the Inverse Frobenius−Perron Problem.
  858. 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
  859. 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
  860. 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
  861. N. Moiseyev and L. S. Cederbaum
    J. Phys. B 32 (1999), L279
    Suppression of electron correlation and of autoionization by strong laser fields
  862. V. S. Melezhik and P. Schmelcher
    Phys. Rev. A. 59 (1999), 4264
    Magnetic Field Stimulated Transitions of Excited States in Fast Muonic Helium Ions.
  863. V. S. Melezhik and P. Schmelcher
    Hyperfine Interactions 119 (1999), 147
    Magnetic Field Stimulated Transitions of Excited States in Fast Muonic Helium Ions
  864. 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.
  865. S. Mahapatra and H. Köppel
    Chem. Phys. Lett. 306 (1999), 387−394
    Semiclassical approch to the Rydberg emission spectra of H3 and its isotopomers.
  866. 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
  867. 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.
  868. M. V. Ivanov and P. Schmelcher
    Physical Review A 60 (1999), 3558
    The Ground State of the Carbon Atom in Strong Magnetic Fields
  869. 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.
  870. 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
  871. 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
  872. A. Dreuw and L. S. Cederbaum
    Phys. Rev. A 59 (1999), 2702
    Long−lived high−spin states of small anions: 6Π state of CO.
  873. A. Dreuw and L. S. Cederbaum
    Int. J. Mass Spec. 188 (1999), 199−204
    Long−lived high−spin sextet states of N2
  874. A. Dreuw and L. S. Cederbaum
    J. Chem. Phys. 111 (1999), 1467
    Anions made of cations and dianions: [CsC9]7]
  875. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    J. Phys. Chem. A 102 (1999), 9405
    Theoretical evidence for delocalized inequivalent core holes
  876. N. Dobrodey, H. Köppel and L. S. Cederbaum
    Phys. Rev. A 60 (1999), 1988−1998
    Vibrational structure of the O1s ionization spectrum of CO2
  877. 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
  878. 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
  879. 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
  880. L. S. Cederbaum and J. Zobeley
    Chem. Phys. Lett. 307 (1999), 205
    Ultrafast charge migration by electron correlation
  881. 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
  882. 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
  883. W. Becken, P. Schmelcher and F. K. Diakonos
    Journal of Physics B 32 (1999), 1557
    The Helium Atom in a Strong Magnetic Field
  884. 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
  885. I. Baldea, H. Köppel and L. S. Cederbaum
    Synthetic Metals 101 (1999), 394
    Structural change in mesoscopic Peierls chains
  886. I. Baldea, H. Köppel and L. S. Cederbaum
    J. Phys. Soc. Japan 68 (1999), 1954−1962
    Quantum phonon fluctuations in mesoscopic dimerized systems
  887. 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
  888. J. Zobeley, L. S. Cederbaum and F. Tarantelli
    J. Chem. Phys. 108 (1998), 9737
    Highly excited electronic states of molecular clusters and their decay
  889. 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
  890. 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.
  891. 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
  892. T. Sommerfeld and L. S. Cederbaum
    Pys. Rev. Lett. 80 (1998), 3723
    Long−lived states of N2.
  893. 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.
  894. R. Schork and H. Köppel
    Theoretical Chemistry Accounts 100 (1998), 204−211
    Ab initio quantum dynamical study of the vinylidene−acetylene isomerization.
  895. J. Schön and H. Köppel
    J. Chem. Phys. 108 (1998), 1503−1515
    Geometric phases and quantum dynamics in spin−orbit coupled systems.
  896. P. Schmelcher
    Int. J. Quant. Chem. 70 (1998), 789
    On the Ground States of Atoms and Molecules in Strong Magnetic Fields.
  897. 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.
  898. 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.
  899. 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.
  900. 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.
  901. D. Pingel, P. Schmelcher and F. K. Diakonos
    Phys. Rev. E 58 (1998), 369
    Analytical Solutions to One−Dimensional Dissipative and Discrete Chaotic Dynamics.
  902. 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
  903. 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
  904. 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)]
  905. 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
  906. 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
  907. 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.
  908. D. M. Leitner and P. Schmelcher
    Rapid Communications Physical Review A 58 (1998), R3383
    Mesoscopic Motion of Atomic Ions in Magnetic Fields.
  909. 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.
  910. A. Jäckle and H.−D. Meyer
    J. Chem. Phys. 109 (1998), 3772−3779
    Product representation of potential energy surfaces II.
  911. 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.
  912. M. V. Ivanov and P. Schmelcher
    Phy. Rev. A 57 (1998), 3793
    The Ground State of the Lithium Atom in Strong Magnetic Fields.
  913. A. Dreuw, T. Sommerfeld and L. S. Cederbaum
    Theor. Chem. Acc. 100 (1998), 60
    Possible long−lived quartet resonance states of CO
  914. 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
  915. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    J. Phys. Chem. A 102 (1998), 9405
    Theoretical evidence for delocalized inequivalent core holes
  916. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. B 57 (1998), 7340
    Dynamical screening in weak chemisorption systems
  917. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Surface Science 402 (1998), 508
    Strong dynamical screening in weak chemisorption systems
  918. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. B 58 (1998), 2316
    Partial localization of core holes in nonsymmetrical systems
  919. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Phys. Rev. B 57 (1998), 1998−7340
    Dynamical screening in weak chmisorption systems.
  920. 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.
  921. 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
  922. 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
  923. 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.
  924. 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
  925. 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
  926. 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
  927. J. Brand and L. S. Cederbaum
    Phys. Rev. A 57 (1998), 4311
    First order static excitation potential: Scheme for excitation energies and transition moments
  928. V. Berghof, T. Sommerfeld and L. S. Cederbaum
    J. Phys. Chem. A 102 (1998), 5100
    Sulfur cluster dianions
  929. 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.
  930. I. Baldea, H. Köppel and L. S. Cederbaum
    Solid State Communications 106 (1998), 733
    How small can a Peierls dimerized chain be?
  931. 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
  932. I. Baldea, H. Köppel and L. S. Cederbaum
    Eur. Phys. J. B 3 (1998), 507
    The smooth structural change in mesoscopic Peierls chains
  933. A. B. Trofimov and J. Schirmer
    Chem. Phys. 224 (1997), 175
    Polarization propagator study of electronic excitation in key heterocyclic molecules II. Furan.
  934. A. B. Trofimov and J. Schirmer
    Chem. Phys. 214 (1997), 153−170
    Polarization propagator study of electronic excitation in key heterocyclic molecules. I. Pyrrole.
  935. 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−
  936. T. Sommerfeld, U. V. Riss, H.−D. Meyer and L. S. Cederbaum
    Phys. Rev. Lett. 79 (1997), 1237
    Metastable C22− dianion
  937. 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.
  938. P. Schmelcher and L. S. Cederbaum
    Int. J. Quantum Chem. 64 (1997), 501
    Molecules in strong magnetic fields: some perspectives and general aspects
  939. P. Schmelcher and F. K. Diakonos
    Phys. Rev. Lett. 78 (1997), 4733
    Detecting Unstable Periodic Orbits in Chaotic Dynamical Systems.
  940. 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
  941. 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.
  942. 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
  943. 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.
  944. 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.
  945. 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.
  946. H. Köppel
    Z. für Physikal. Chemie 200 (1997), 3−10
    Examples of Jahn−Teller coupling effects in molecular spectroscopy and internal conversion dynamics.
  947. 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
  948. 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.
  949. 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
  950. A. Dreuw, T. Sommerfeld and L. S. Cederbaum
    Angew. Chem. Int. Ed. Engl. 36 (1997), 1889
    Stable free dianionic silicon−carbon clusters
  951. 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+.
  952. N. V. Dobrodey, L. S. Cederbaum and F. Tarantelli
    Surface Science 379 (1997), 623
    On core−hole screening in chemisorption systems
  953. 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.
  954. 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.
  955. 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
  956. L. S. Cederbaum, J. Zobeley and F. Tarantelli
    Phys. Rev. Lett. 79 (1997), 4778
    Giant intermolecular decay and fragmentation of clusters
  957. 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.
  958. 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.
  959. 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
  960. J. Ackermann, J. Shertzer and P. Schmelcher
    Phys. Rev. Lett. 78 (1997), 199
    Long−lived states of Positronium in crossed magnetic and electric fields.
  961. 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
  962. 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
  963. 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
  964. 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−
  965. 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
  966. 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
  967. J. Schirmer and F. Mertins
    J. Phys. B 29 (1996), 3559−3580
    A new approach to the random phase approximation.
  968. J. Schirmer and F. Mertins
    Int. J. Quant. Chem. 58 (1996), 329−339
    Size Consistency of an algebraic propagator approach.
  969. 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.
  970. 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
  971. 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
  972. 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.
  973. 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.
  974. M. Mayer, L. S. Cederbaum and H. Köppel
    J. Chem. Phys. 104 (1996), 8932
    Rovibronic coupling in the Na3B system
  975. M. Mayer and L. S. Cederbaum
    J. Chem. Phys. 105 (1996), 4938
    Molecular rotations in vibronically coupled systems
  976. 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+
  977. 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.
  978. U. Kappes and P. Schmelcher
    Phys. Rev. A 53 (1996), 3869
    Adiabatic Potential Energy Surfaces of the H2+−Ion in a Strong Magnetic Field.
  979. 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.
  980. A. Jäckle and H.−D. Meyer
    J. Chem. Phys. 104 (1996), 7974−7984
    Product representation of potential energy surfaces.
  981. 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.
  982. 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.
  983. G. Handke, F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
    J. Chem. Phys. 104 (1996), 9531
    Theoretical investigations of molecular triple ionization spectra
  984. G. Handke, F. Tarantelli and L. S. Cederbaum
    Phys. Rev. Lett. 76 (1996), 896
    Triple ionization of carbon monoxide
  985. 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
  986. 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
  987. 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
  988. 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
  989. 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
  990. 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.
  991. 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
  992. M. S. Deleuze and L. S. Cederbaum
    Phys. Rev. B 53 (1996), 13326
    Formation of satellite bands in the ionization spectra of extended systems
  993. L. S. Cederbaum
    Few−Body Systems 21 (1996), 211
    Optical potentials for elastic and inelastic scattering of non−electronic projectiles from electronic targets
  994. 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
  995. 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.
  996. H. −G. Weikert and L. S. Cederbaum
    Chem. Phys. Lett. 237 (1995), 1
    On the satellite structure accompanying the ionization of benzene
  997. A. B. Trofimov and J. Schirmer
    J. Phys. B 28 (1995), 2299−2324
    An efficient polarization propagator approach to valence electron excitation spectra.
  998. F. Tarantelli, L. S. Cederbaum and A. Sgamellotti
    J. Electr. Spectry. 76 (1995), 47
    The ab initio simulation of Auger spectra
  999. 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.
  1000. 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
  1001. J. Schön and H. Köppel
    J. Chem. Phys. 103 (1995), 9292−9301
    Geometric phase effects and wave packet dynamics on intersecting potential energy surfaces.
  1002. P. Schmelcher and L. S. Cederbaum
    Phys. Rev. Lett. 74 (1995), 662
    Classical self−ionization of fast atomic ions in magnetic fields
  1003. P. Schmelcher
    Phys. Rev. A 52 (1995), 130
    On the Interaction of the Collective and Electronic Motion of Atomic Ions in Magnetic Fields.
  1004. M. K. Scheller, R. N. Compton and L. S. Cederbaum
    Science 270 (1995), 1160
    Gas−phase multiply charged anions
  1005. U. V. Riss and H.−D. Meyer
    J. Phys. B 28 (1995), 1475
    Reflection−free Complex Absorbing Potentials.
  1006. 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.
  1007. 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.
  1008. 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
  1009. 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
  1010. 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.
  1011. 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
  1012. 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.
  1013. 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.
  1014. 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
  1015. 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
  1016. 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.
  1017. 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
  1018. 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
  1019. L. S. Cederbaum
    J. Chem. Phys. 103 (1995), 562
    Symmetry breaking and localization in resonant photon emission
  1020. L. S. Cederbaum and F. Tarantelli
    in: Frontiers of Chemical Dynamics, ed. E. Yurtsever, Kluwer, Dordrecht (1995)
    Time−dependent nuclear dynamics of decaying states
  1021. I. Baldea, H. Köppel and L. S. Cederbaum
    Solid State Communications 93 (1995), 817
    Analytical results in CDW systems beyond the strong pinning limit
  1022. I. Baldea, L. S. Cederbaum and H. Köppel
    J. Phys. Soc. Jpn. 64 (1995), 356
    Analytical explanation for numerical simulation results on CDW
  1023. 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
  1024. 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
  1025. A. Tarantelli and L. S. Cederbaum
    Phys. Rev. A 49 (1994), 3407
    Consistency of approximation schemes in many−body theory
  1026. F. Tarantelli, A. Sgamellotti and L. S. Cederbaum
    J. Electr. Spectry. 68 (1994), 297
    The calculation of molecular Auger spectra
  1027. 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−.
  1028. 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.
  1029. 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.
  1030. P. Schmelcher and D. L. Shepelyansky
    Phys. Rev. B 49 (1994), 7418
    Chaotic and Ballistic Dynamics for Two−Dimensional Electrons in Periodic Magnetic Fields.
  1031. 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
  1032. 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
  1033. 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
  1034. 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
  1035. 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).
  1036. 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 )
  1037. H.−D. Meyer
    Chem. Phys. Lett. 223 (1994), 465−468
    On the equivalence of the log−derivative Kohn principle with the R−matrix method.
  1038. 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
  1039. 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
  1040. 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
  1041. H. Köppel and R. Meiswinkel
    Z. Phys. D 32 (1994), 153−156
    Point−charge model for vibronic coupling constants of metal atom trimers.
  1042. 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.
  1043. 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.
  1044. 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
  1045. 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.
  1046. 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
  1047. L. S. Cederbaum and P. Winkler
    Theoret. Chim. Acta 88 (1994), 257
    Dilatation transformation and sum rules for general potentials including self−consistent potentials
  1048. 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
  1049. H.−G. Weikert and L. S. Cederbaum
    J. Chem. Phys. 99 (1993), 8877
    Free doubly negative tetrahalides
  1050. F. Tarantelli and L. S. Cederbaum
    Phys. Rev. Lett. 71 (1993), 649
    Foreign imaging in Auger spectroscopy: The Si 2p spectrum of silicon tetrafluoride
  1051. T. Sommerfeld, M. K. Scheller and L. S. Cederbaum
    Chem. Phys. Lett. 209 (1993), 216
    The structure of small doubly negative carbon clusters
  1052. 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
  1053. 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
  1054. P. Schmelcher
    Phys. Rev. B 48 (1993), 14462
    Delocalization of Excitons in a Magnetic Field.
  1055. 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.
  1056. 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.
  1057. 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
  1058. 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.
  1059. T. Pacher, L. S. Cederbaum and H. Köppel
    Adv. Chem. Phys. 84 (1993), 293
    Adiabatic and quasidiabatic states in a gauge theoretical framework
  1060. 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
  1061. 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
  1062. 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
  1063. R. Meiswinkel and H. Köppel
    Chem. Phys. Lett. 201 (1993), 449−457
    Combined Jahn−Teller and Pseudo−Jahn−Teller effects in the P4+ cation.
  1064. 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
  1065. 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)]∈fty.
  1066. 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
  1067. 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).
  1068. H. Köppel
    Chem. Phys. Lett. 205 (1993), 361−370
    New ultrafast nonradiative decay mechanism in the benzene radical cation.
  1069. 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
  1070. 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
  1071. 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
  1072. L. S. Cederbaum and F. Tarantelli
    J. Chem. Phys. 98 (1993), 9691
    Nuclear dynamics of decaying states: a time−dependent formulation
  1073. L. S. Cederbaum and F. Tarantelli
    J. Chem. Phys. 99 (1993), 5871
    Nuclear dynamics of several decaying overlapping electronic states: A time−dependent formulation
  1074. 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.
  1075. K. Zähringer, H.−D. Meyer and L. S. Cederbaum
    Phys. Rev. A 46 (1992), 5643
    Angular−resolved Auger rates of LiF and HF
  1076. 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
  1077. A. Tarantelli and L. S. Cederbaum
    Phys. Rev. A 46 (1992), 81
    Approximation scheme for the three−particle propagator
  1078. 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
  1079. A. Tarantelli and L. S. Cederbaum
    Phys. Rev. A 45 (1992), 2790
    Configuration−interaction formulation of the Dyson equation
  1080. 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
  1081. P. Schmelcher and L. S. Cederbaum
    Phys. Lett. A 164 (1992), 305
    On chaos in unbounded phase space
  1082. 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.
  1083. A. Schmitt and J. Schirmer
    Chem. Phys. 164 (1992), 1
    Molecular K−shell excitation spectra in the relaxed−core Hartree−Fock approximation.
  1084. 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
  1085. 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
  1086. H.−D. Meyer
    J. Phys. B 25 (1992), 2657−2668
    The CI optical potential and its equivalence with the Schwinger multichannel formalism
  1087. 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.
  1088. 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
  1089. 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
  1090. L. S. Cederbaum and H. Köppel
    J. Phys. A 25 (1992), L311
    The distorted Jahn−Teller effect.
  1091. L. S. Cederbaum
    Few−Body Systems, Suppl. 6 (1992), 595
    Green's functions for molecules
  1092. 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
  1093. 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
  1094. P. Schmelcher and L. S. Cederbaum
    Int. J. Quant. Chem. S 25 (1991), 371
    On molecules and ions in strong magnetic fields
  1095. 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
  1096. 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
  1097. J. Schirmer, M. Braunstein and V. McKoy
    Phys. Rev. A. 44 (1991), 5762
    Satellite Intensities in the K−shell photoionization of CO.
  1098. J. Schirmer
    Phys. Rev. A 43 (1991), 4647−4659
    Closed−form intermediate representations of many−body propagators and resolvent matrices.
  1099. 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
  1100. 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
  1101. 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
  1102. 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.
  1103. R. Meiswinkel and H. Köppel
    Z. Phys. D 19 (1991), 63−66
    A pseudo−Jahn−Teller treatment of the B system of Na3.
  1104. U. Manthe and H. Köppel
    Chem. Phys. Lett. 178 (1991), 36−42
    Three−dimensional wave packet dynamics on vibronically coupled dissociative potential energy surfaces.
  1105. 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
  1106. 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
  1107. 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.
  1108. 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
  1109. 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
  1110. 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
  1111. 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
  1112. F. Fischer, H. Köppel and L. S. Cederbaum
    Synthetic Metals 41 (1991), 3597
    Multimode Peierls distortions
  1113. 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
  1114. L. S. Cederbaum and H.−D. Meyer
    Chem. Phys. Lett. 181 (1991), 163
    On natural orbitals for properties
  1115. 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
  1116. 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
  1117. A. Tarantelli and L. S. Cederbaum
    J. Math. Phys. 31 (1990), 828
    Block−diagonalization in second quantization
  1118. 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.
  1119. P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 41 (1990), 4936
    Crossings of potential−energy surfaces in a magnetic field
  1120. 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.
  1121. 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
  1122. 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
  1123. 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
  1124. E. Ohrendorf, H. Köppel, L. S. Cederbaum, F. Tarantelli and A. Sgamellotti
    J. Electr. Spectrosc. 51 (1990), 211
    On the Auger spectrum of ethylene
  1125. 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
  1126. M. Müller and L. S. Cederbaum
    Phys. Rev. A 42 (1990), 170
    Many−body theory of composite electronic−positronic systems
  1127. H. −D. Meyer, U. Manthe and L. S. Cederbaum
    Chem. Phys. Lett. 165 (1990), 73
    The multi−configurational time−dependent Hartree−approach
  1128. R. Meiswinkel and H. Köppel
    Chem. Phys. 144 (1990), 117−128
    A Pseudo−Jahn−Teller Treatment of the Pseudorotational Spectrum of Na3.
  1129. 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.
  1130. 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.
  1131. H. Kutz and H.−D. Meyer
    J. Phys. B 23 (1990), 829−839
    Electron − HF scattering in the static−exchange approximation
  1132. 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
  1133. 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
  1134. L. S. Cederbaum
    Int. J. Quant. Chem. S 38 (1990), 393
    On Green's function and their applications
  1135. Th. Zimmermann, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 91 (1989), 3934
    Statistical fluctuations of decay rates
  1136. 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
  1137. 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
  1138. A. Tarantelli and L. S. Cederbaum
    Phys. Rev. A 39 (1989), 1656
    Particle−particle propagator in the algebraic diagrammatic construction scheme at third order
  1139. A. Tarantelli and L. S. Cederbaum
    Phys. Rev. A 39 (1989), 1639
    Connection between Green's functions and effective Hamiltonians: Particle−particle propagator
  1140. P. Schmelcher and L. S. Cederbaum
    Phys. Lett. A 140 (1989), 498
    New approximate constant of motion for molecular ions in a magnetic field
  1141. P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 40 (1989), 3515
    Approximate constant of motion for molecular ions in a magnetic field
  1142. 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.
  1143. 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
  1144. 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
  1145. 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
  1146. 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
  1147. H.−D. Meyer and S. Pal
    J. Chem. Phys. 91 (1989), 6195−6204
    A band Lanczos method for computing matrix elements of a resolvent.
  1148. H.−D. Meyer
    Phys. Rev. A 40 (1989), 5605−5613
    Optical potentials for electron−molecule scattering: A comparative study on the N2 2Πg−resonance.
  1149. R. Meiswinkel and H. Köppel
    Chem. Phys. 129 (1989), 463−476
    Impact of totally symmetric vibrations on the E x e Jahn−Teller effect.
  1150. J. Kucar and H.−D. Meyer
    J. Chem. Phys. 90 (1989), 5566
    Exact wave packet propagation using time−dependent basis sets
  1151. 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
  1152. 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.
  1153. L. S. Cederbaum, J. Schirmer and H.−D. Meyer
    J. Phys. A: Math. Gen. 22 (1989), 2427
    Block diagonalisation of Hermitian matrices
  1154. 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
  1155. 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
  1156. F. Tarantelli and L. S. Cederbaum
    J. Chem. Phys. 89 (1988), 4170
    On the choice of orbital bases for configuration interaction
  1157. 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
  1158. P. Schmelcher and L. S. Cederbaum
    Phys. Rev. A 37 (1988), 672
    Molecules in strong magnetic fields: Properties of atomic orbitals
  1159. 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
  1160. J. Schirmer, A. Barth and F. Tarantelli
    Chem. Phys. 122 (1988), 9
    Theoretical study of K−shell excitations in formaldehyde.
  1161. 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
  1162. 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
  1163. T. Pacher, L. S. Cederbaum and H. Köppel
    J. Chem. Phys. 89 (1988), 7367
    Approximately diabatic states from blockdiagonalization of the electronic Hamiltonian
  1164. E. Ohrendorf, L. S. Cederbaum and H. Köppel
    Chem. Phys. Lett. 151 (1988), 273
    On multidimensional avoided crossings of potential energy surfaces
  1165. 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.
  1166. H. −D. Meyer, J. Kucar and L. S. Cederbaum
    J. Math. Phys. 29 (1988), 1417
    Time−dependent rotated Hartree: formal development
  1167. 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.
  1168. F. Fischer, H. Köppel and L. S. Cederbaum
    Phys. Rev. B 37 (1988), 9477
    Non−Peierls structural phase transitions in one−dimensional Peierls systems
  1169. 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
  1170. Th. Zimmermann, L. S. Cederbaum, H.−D. Meyer and H. Köppel
    J. Phys. Chem. 91 (1987), 4446
    Statistical properties of energy levels
  1171. Th. Zimmermann and L. S. Cederbaum
    Phys. Rev. Lett. 59 (1987), 1496
    Additional properties of random matrices and their relation to Hamiltonian Systems
  1172. Th. Zimmermann, H. Köppel, H.−D. Meyer and L. S. Cederbaum
    Physica Scripta 35 (1987), 125
    Energy level statistics of coupled oscillators
  1173. H. −G. Weikert and L. S. Cederbaum
    Few−Body Systems 2 (1987), 33
    Particle−number−dependent theory of few− and many−body systems
  1174. 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
  1175. 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.
  1176. J. Schirmer, G. Angonoa and L. S. Cederbaum
    Z. Phys. D 5 (1987), 253
    On the core−hole photoelectron satellites in N2 and CO
  1177. R. Sawatzki, L. S. Cederbaum and F. Tarantelli
    J. Phys. B 20 (1987), 5259
    Non−Hartree−Fock mean fields for molecules: critical tests
  1178. J. Kucar, H.−D. Meyer and L. S. Cederbaum
    Chem. Phys. Lett. 140 (1987), 525
    Time−dependent rotated Hartree approach
  1179. H. Korsch, H. Kutz and H.−D. Meyer
    J. Phys. B 20 (1987), L433−L439
    Rotational rainbows in electron−molecule scattering
  1180. 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
  1181. 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
  1182. W. Domcke, C. Mündel and L. S. Cederbaum
    Comments At. Mol. Phys. 20 (1987), 293
    Collision dynamics with non−local complex potentials
  1183. 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.
  1184. L. S. Cederbaum
    Phys. Rev. A 35 (1987), 622
    Many−body theory of multiple core holes
  1185. L. S. Cederbaum, F. Tarantelli, A. Sgamellotti and J. Schirmer
    J. Chem. Phys. 86 (1987), 2168
    Double vacancies in the core of benzene
  1186. 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.
  1187. 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
  1188. 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
  1189. R. Sawatzki and L. S. Cederbaum
    Chem. Phys. Lett. 126 (1986), 430
    On the choice of unperturbed Hamiltonians and the convergence of perturbation theory
  1190. 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
  1191. 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
  1192. 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
  1193. 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.
  1194. 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.
  1195. H. Estrada, L. S. Cederbaum and W. Domcke
    J. Chem. Phys. 84 (1986), 152
    Vibronic coupling of short−lived electronic states
  1196. W. Domcke, M. Berman, C. Mündel and H.−D. Meyer
    Phys. Rev. A 33 (1986), 222−232
    Direct calculation of complex resonance poles using separable expansions of the potential: Application to the 2Σ+u shape resonance in electron−H2 scattering
  1197. L. S. Cederbaum, F. Tarantelli, A. Sgamellotti and J. Schirmer
    J. Chem. Phys. 85 (1986), 6513
    On double vacancies in the core
  1198. 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
  1199. Th. Zimmermann, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 83 (1985), 4697
    On the bilinear vibronic coupling mechanism
  1200. O. Walter, L. S. Cederbaum, B. Solouki, P. Rosmus and H. Bock
    J. Phys. Chem. 89 (1985), 1384
    Ionic states of nitrosyl cyanide
  1201. 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
  1202. 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
  1203. F. Tarantelli, J. Schirmer, A. Sgamellotti and L. S. Cederbaum
    Chem. Phys. Lett. 122 (1985), 169
    On the Auger spectrum of silane
  1204. 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
  1205. 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
  1206. L. S. Cederbaum, E. Haller and P. Pfeifer
    Phys. Rev. A 31 (1985), 1869
    Fractal dimension function for energy levels
  1207. 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.
  1208. O. Walter, L. S. Cederbaum and J. Schirmer
    J. Math. Phys. 25 (1984), 729
    The eigenvalue problem for arrow matrices
  1209. J. Schirmer and A. Barth
    Z. Phys. A. 317 (1984), 267
    Higher−order approximations for the particle−particle propagator.
  1210. W. von Niessen, J. Schirmer and L. S. Cederbaum
    Computer Physics Reports 1 (1984), 57
    Computational methods for the one−particle Green's function
  1211. 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
  1212. H.−D. Meyer and J. P. Toennies
    Surface Science 148 (1984), 58−71
    A classical path approximation for diffractive scattering
  1213. H.−D. Meyer and H. Köppel
    J. Chem. Phys. 81 (1984), 2605−2619
    Time evolution of fluorescence and strong nonadiabatic effects.
  1214. H.−D. Meyer and R. D. Levine
    Chem. Phys. 85 (1984), 189−200
    Multiphonon energy transfer in atom−surface scattering.
  1215. 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
  1216. H. Köppel, W. Domcke and L. S. Cederbaum
    Adv. Chem. Phys. 57 (1984), 59−246
    Multimode molecular dynamics beyond the Born−Oppenheimer approximation.
  1217. H. Köppel, L. S. Cederbaum and W. Domcke
    Chem. Phys. Lett. 110 (1984), 469
    Strong non−adiabatic effects in C2D4+
  1218. H. Köppel and H.−D. Meyer
    Chem. Phys. Lett. 107 (1984), 149−154
    Novel aspects of ultrafast non−radiative processes.
  1219. 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
  1220. 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
  1221. 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
  1222. 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).
  1223. 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
  1224. 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
  1225. 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
  1226. 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
  1227. H.−D. Meyer
    Chem. Phys. 82 (1983), 199−205
    A classical model of vibronic coupling
  1228. H. Köppel
    Chem. Phys. 77 (1983), 359−375
    Ultrafast non−radiative decay via conical intersections of molecular potential energy surfaces: C2H4+.
  1229. 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.
  1230. E. Haller, H. Köppel and L. S. Cederbaum
    Chem. Phys. Lett. 101 (1983), 215
    On the statistical behaviour of molecular vibronic energy levels
  1231. 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+
  1232. H. Estrada, M. Berman, L. S. Cederbaum and W. Domcke
    Chem. Phys. Lett. 97 (1983), 352
    Theoretical study of electron transmission through N2
  1233. 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
  1234. L. S. Cederbaum
    J. Chem. Phys. 78 (1983), 5714
    The multistate vibronic coupling problem
  1235. 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
  1236. 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
  1237. 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
  1238. J. Schirmer
    Phys. Rev. A 26 (1982), 2395−2416
    Beyond the random−phase approximation: A new approximation scheme for the polarization propagator.
  1239. 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
  1240. 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
  1241. H.−D. Meyer and O. Walter
    J. Phys. B 15 (1982), 3647−3668
    On the calculation of S−matrix poles using the Siegert Method.
  1242. 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+.
  1243. H. Köppel, L. S. Cederbaum and W. Domcke
    Chem. Phys. 69 (1982), 175
    Strong non−Condon effects induced by electron correlation: N2O+
  1244. 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
  1245. 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
  1246. L. S. Cederbaum and H. Köppel
    Chem. Phys. Lett 87 (1982), 14
    What happens when several closely lying electronic states interact through nuclear motion?
  1247. 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
  1248. O. Walter and J. Schirmer
    J. Phys. B. 14 (1981), 3805
    The two−particle−hole Tamm−Dancoff approximation (2ph−TDA) for atoms.
  1249. 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
  1250. 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
  1251. 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
  1252. 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
  1253. 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
  1254. H.−D. Meyer
    Chem. Phys. 61 (1981), 365−383
    On the forced harmonic oscillator with time−dependent frequency.
  1255. H.−D. Meyer
    Surface Science 104 (1981), 117−160
    A semiclassical approach to inelastic scattering from solid surfaces and to the Debye−Waller factor.
  1256. 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
  1257. H. Köppel, W. Domcke and L. S. Cederbaum
    J. Chem. Phys. 74 (1981), 2945−2968
    Theory of vibronic coupling in linear molecules.
  1258. W. Domcke, H. Köppel and L. S. Cederbaum
    Mol. Phys. 43 (1981), 851
    Spectroscopic effects of conical intersections of molecular potential energy surfaces
  1259. W. Domcke and L. S. Cederbaum
    J. Phys. B 14 (1981), 149
    On the interpretation of low−energy electron−HCl scattering phenomena
  1260. 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
  1261. L. S. Cederbaum and W. Domcke
    J. Phys. B 14 (1981), 4665
    Local against non−local complex potential in resonant electron−molecule scattering
  1262. L. S. Cederbaum, H. Köppel and W. Domcke
    Int. J. Quant. Chem. S 15 (1981), 251
    Multimode vibronic coupling effects in molecules
  1263. A. Barth and L. S. Cederbaum
    Phys. Rev. A 23 (1981), 1038
    Many−body theory of core−valence excitations
  1264. J. Schirmer, L. S. Cederbaum and J. Kiessling
    Phys. Rev. A 22 (1980), 2696
    Branching ratios for ionization processes
  1265. 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
  1266. 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.
  1267. C. H. Maier, L. S. Cederbaum and W. Domcke
    J. Phys. B 13 (1980), L119
    A spherical box approach to resonances
  1268. H. Köppel, E. Haller, L. S. Cederbaum and W. Domcke
    Mol. Phys. 41 (1980), 669−677
    Jahn−Teller effect for very strong coupling.
  1269. E. Haller, L. S. Cederbaum, W. Domcke and H. Köppel
    Chem. Phys. Lett. 72 (1980), 427
    Two−mode Jahn−Teller effect in NH3+
  1270. E. Haller, L. S. Cederbaum and W. Domcke
    Mol. Phys. 41 (1980), 1291
    The E x (epsilon + epsilon) Jahn−Teller−effect
  1271. W. Domcke and L. S. Cederbaum
    J. Phys. B 13 (1980), 2829
    Vibration−induced narrowing of electron scattering resonances near threshold
  1272. 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
  1273. 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
  1274. L. S. Cederbaum, W. Domcke and J. Schirmer
    Phys. Rev. A 22 (1980), 206
    Many−body theory of core holes
  1275. L. S. Cederbaum, W. Domcke, J. Schirmer and H. Köppel
    J. Chem. Phys. 72 (1980), 1348
    Dynamical calculation of satellite intensities
  1276. 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
  1277. 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
  1278. 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
  1279. H.−D. Meyer and W. H. Miller
    J. Chem. Phys. 70 (1979), 3214−3223
    A classical analog for electronic degrees of freedom.
  1280. 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
  1281. 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
  1282. 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.
  1283. 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+.
  1284. 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
  1285. 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
  1286. W. Domcke, L. S. Cederbaum and F. Kaspar
    J. Phys. B 12 (1979), L359
    Threshold phenomena in electron−molecule scattering: a non−adiabatic theory
  1287. 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
  1288. W. Domcke, L. S. Cederbaum, J. Schirmer and W. von Niessen
    Chem. Phys. 39 (1979), 149
    Negative shake−up energies in core electron ionization
  1289. 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
  1290. 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
  1291. 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
  1292. J. Schirmer and L. S. Cederbaum
    J. Phys. B 11 (1978), 1889
    The 2ph−TDA equations for closed−shell atoms and molecules
  1293. 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
  1294. 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
  1295. 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
  1296. H. Köppel, W. Domcke, W. von Niessen and L. S. Cederbaum
    Mol. Phys. 35 (1978), 1283
    On the Jahn−Teller effect in NH3+
  1297. 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
  1298. W. Domcke and L. S. Cederbaum
    Surface Sc. 72 (1978), 223
    Remark on fixed−molecule high−energy photoelectron angular distribution
  1299. W. Domcke and L. S. Cederbaum
    J. Electr. Spectry. 13 (1978), 161
    Electronic recoil effects in high−energy photoelectron spectroscopy
  1300. 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
  1301. L. S. Cederbaum, W. Domcke and H. Köppel
    Chem. Phys. 33 (1978), 319
    Jahn−Teller effect induced by non−degenerate vibrational modes in cumulenes
  1302. 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
  1303. 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
  1304. 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
  1305. 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
  1306. 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
  1307. 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
  1308. 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
  1309. 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
  1310. 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
  1311. 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
  1312. 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
  1313. 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
  1314. W. Domcke and L. S. Cederbaum
    Chem. Phys. 25 (1977), 189
    Vibronic coupling and symmetry breaking in core electron ionization
  1315. 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
  1316. W. Domcke and L. S. Cederbaum
    Phys. Rev. A 16 (1977), 1465
    Theory of vibrational structure of resonances in electron−molecule scattering
  1317. 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
  1318. L. S. Cederbaum, K. Schönhammer and W. von Niessen
    Phys. Rev. A 15 (1977), 833
    Electron affinities by a variation−perturbation approach
  1319. L. S. Cederbaum and W. Domcke
    J. Chem. Phys. 66 (1977), 5084
    Localized and delocalized core holes and their interrelation
  1320. 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
  1321. 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
  1322. L. S. Cederbaum and W. Domcke
    Adv. Chem. Phys. 36 (1977), 205
    Theoretical aspects of ionization potentials and photoelectron spectroscopy: a many−body approach
  1323. 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
  1324. L. S. Cederbaum and J. Schirmer
    Mol. Phys. 33 (1977), 1407
    An extended statistical law for photoionization and electron−attachment processes
  1325. 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
  1326. 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
  1327. 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
  1328. 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
  1329. 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
  1330. 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
  1331. 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
  1332. H.−D. Meyer and K. T. Tang
    Z. Physik A 279 (1976), 349−355
    s−wave resonances with square well potentials
  1333. 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
  1334. 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
  1335. L. S. Cederbaum and W. Domcke
    J. Chem. Phys. 64 (1976), 603
    Vibrational structure in electronic transitions: a general theory
  1336. 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
  1337. K. Schönhammer and L. S. Cederbaum
    Phys. Lett. 51A (1975), 325
    On a variational−perturbational method for large perturbations
  1338. 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
  1339. 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)
  1340. 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
  1341. 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
  1342. 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
  1343. L. S. Cederbaum and P. Matschke
    Phys. Rev. A 12 (1975), 6
    Hyperfine coupling constants by a many−body approach
  1344. 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
  1345. 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
  1346. 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
  1347. 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
  1348. L. S. Cederbaum
    J. Phys. B 8 (1975), 290
    One−body Green's function for atoms and molecules: theory and application
  1349. L. S. Cederbaum and K. Schönhammer
    Phys. Rev. A 12 (1975), 2257
    A simple variational approach to perturbation theory
  1350. L. S. Cederbaum
    J. Chem. Phys. 62 (1975), 2160
    Non−single−particle excitations in finite Fermi systems
  1351. 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
  1352. B. Kellerer, L. S. Cederbaum and G. Hohlneicher
    J. Elec. Spectr. 3 (1974), 107
    Calculation of Koopman's defect using semiempirical molecular orbital methods
  1353. 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
  1354. L. S. Cederbaum
    Chem. Phys. Lett. 25 (1974), 562
    A simple explanation of the breakdown of Koopman's theorem for F2 and N2
  1355. L. S. Cederbaum
    Mol. Phys. 28 (1974), 479
    Application of Green's functions to excitations accompanying photoionization in atoms and molecules
  1356. 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
  1357. 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
  1358. 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
  1359. L. S. Cederbaum and J. Schirmer
    Z. Physik 271 (1974), 221
    Many−body Green's functions for open−shell atoms and molecules
  1360. L. S. Cederbaum and W. von Niessen
    Phys. Lett. 47A (1974), 199
    A new approach to calculation of electron affinities
  1361. 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
  1362. 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
  1363. J. Schirmer, S. Knaak and G. Süssman
    Nucl. Phys. A 199 (1973), 31
    Viscosity coefficients for nuclear fission
  1364. 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
  1365. L. S. Cederbaum
    Theoret. Chim. Acta 31 (1973), 239
    Direct calculation of ionization potentials of closed−shell atoms and molecules
  1366. L. S. Cederbaum, G. Hohlneicher and W. von Niessen
    Mol. Phys. 26 (1973), 1405
    Improved calculations of ionization potentials of closed−shell molecules
  1367. 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
  1368. 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
  1369. 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