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Selected References

from the Theoretical Chemistry Group at the University of Heidelberg

This documents contains all references with the following properties:
Author:  "köppel", Title:  (any), Journal:  (any), Year:  (any).
  1. A. Chattopadhyay, M. F. S. J. Menger, D. S. Sisodiya and H. Köppel
    J. Phys. Chem. A 129 (2025), 2442
    Theoretical Study of Spectroscopy and Photodynamics of Decatetraene as a Representative Dimethylated Polyene
  2. B. Nikoobakht and H. Köppel
    Phys. Chem. Chem. Phys. 26 (2024), 24591
    Fully quantal description of combined internal conversion and intersystem crossing processes in the smallest Criegee intermediate CH2OO
  3. V. D. Hannibal, M. F. S. J. Menger and H. Köppel
    J. Phys. C 2769 (2024), 012004
    Multi−state vibronic dynamics of the benzene cation: Combined multi−mode Jahn−Teller and Pseudo Jahn−Teller Effects
  4. B. Nikoobakht and H. Köppel
    Phys. Chem. Chem. Phys. 25 (2023), 19470
    Photodissociation dynamics and UV absorption spectrum of acetone oxide (CH3)2COO
  5. B. Nikoobakht and H. Köppel
    Chem. Phys. Lett. 833 (2023), 140943
    Conformational dependence of the UV absorption spectrum of CH3CH2CHOO following excitation to the B1A' state
  6. M. F. S. J. Menger and H. Köppel
    J. Phys. Chem. A 127 (2023), 8501
    On the Fluorescence Properties and Nonradiative Transitions in Medium−Sized All−Trans Polyenes
  7. A. B. Trofimov, A. D. Skitnevskaya, E. K. Grigoricheva, E. V. Gromov and H. Köppel
    J. Chem. Phys. 157 (2022), 174309
    Vibronic coupling in the ground and excited states of the imidazole radical cation
  8. B. Nikoobakht, R. Hakim, M. F. S. J. Menger and H. Köppel
    Mol. Phys. 120 (2022), e2132186
    On the UV spectroscopy and photodynamics of octatetraene
  9. B. Nikoobakht and H. Köppel
    Phys. Chem. Chem. Phys. 24 (2022), 12433
    Correlated quantum treatment of the photodissociation dynamics of formaldehyde oxide CH2OO
  10. B. Nikoobakht and H. Köppel
    Mol. Phys. 119 (2021), e1958019
    UV absorption spectrum and photodissociation dynamics of CH2OO following excitation to the B1A' state
  11. A. B. Trofimov, A. D. Skitnevskaya, E. K. Grigoricheva, E. V. Gromov and H. Köppel
    J. Chem. Phys. 153 (2020), 164307
    Vibronic coupling in the ground and excited states of the pyridine radical cation
  12. S. Goswami, Aiswarya M. P. and H. Köppel
    Mol. Phys. 118 (2020), e1762011
    A quantum dynamical investigation of the excitation transfer in two doubly hydrogen−bonded molecular dimers
  13. S. Scheit, S. Goswami, H.−D. Meyer and H. Köppel
    Comp. Theor. Chem. 1150 (2019), 71
    Fully quantal treatment of nonadiabatic molecular photodynamics: General considerations and application to the benzene cation
  14. B. Nikoobakht, A. Dreuw and H. Köppel
    J. Chem. Phys. 151 (2019), 104105
    Excited state dynamics of the s−trans−1,3−butadiene cation: An ab initio quantum dynamical analysis
  15. S. Goswami, S. Kopec and H. Köppel
    J. Phys. Chem. A 123 (2019), 5491
    Vibronic Coupling and Excitation Transfer in Hydrogen−Bonded Molecular Dimers: A Quantum Dynamical Analysis
  16. A. B. Trofimov, I. Powis, R. C. Menzies, D. M. P. Holland, E. Antonsson, M. Patanen, C. Nicolas, C. Miron, A. D. Skitnevskaya, E. V. Gromov and H. Köppel
    J. Chem. Phys. 149 (2018), 074306
    An experimental and theoretical study of the photoelectron spectra of cis−dichloroethene: Valence shell vertical ionization and vibronic coupling in the low−lying cationic states
  17. B. Nikoobakht, A. Dreuw, H and Köppel
    Chem. Phys. 515 (2018), 654
    An ab initio quantum dynamical analysis of the vibronic structure of the X2Bg photoelectron spectral band of s−trans−1, 3−butadiene
  18. V. Hizhnyakov, K. Pae, V. Boltrushko and H. Köppel
    J. Phys.: Conf. Ser. 1148 (2018), 012002
    Vibronic states in conical intersections: manifestations of centrifugal energy and non−adiabaticity in optical spectra of Jahn−Teller systems
  19. A. Chattopadhyay, P. Saini. R. Hakim, A. Komainda and H. Köppel
    Chem. Phys. 509 (2018), 98
    A computational investigation on the photo−isomerization of 2,4,6−octatriene and its UV–visible spectrum
  20. R. Sarkar, S. R. Reddy, S. Mahapatra and H. Köppel
    Chem. Phys. 482 (2017), 39
    On the Jahn–Teller effect in the X2E electronic ground state of CH3F+
  21. 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
  22. 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
  23. 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
  24. 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
  25. B. Nikoobakht and H. Köppel
    Chem. Phys. Lett. 651 (2016), 221
    Quantum dynamics study of singlet−triplet transitions in s−trans−1,3−butadiene
  26. S. Kopec and H. Köppel
    J. Chem. Phys. 144 (2016), 024314
    Theoretical analysis of the S2 <− S0 vibronic spectrum of the 2−pyridone dimer
  27. 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
  28. 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
  29. C. Lévêque, R. Taïeb and H. Köppel
    Chem. Phys. 460 (2015), 135
    Theoretical assignment of the Clements bands of SO2
  30. 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
  31. 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
  32. M. Assmann, H. Köppel and S. Matsika
    Phys. Chem. A, 119 (2015), 866
    Photoelectron spectrum and dynamics of the uracil cation
  33. H. Köppel
    in: Molecular Quantum Dynamics, ed. F. Gatti, Springer, Heidelberg (2014)
    Vibronic coupling effects in spectroscopy and non−adiabatic transitions in molecular photodynamics
  34. 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
  35. 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
  36. 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
  37. 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
  38. 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
  39. 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
  40. 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
  41. 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?
  42. 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
  43. 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
  44. 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
  45. 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
  46. 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
  47. 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
  48. 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
  49. 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
  50. 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
  51. S. Faraji and H. Köppel
    J. Chem. Phys. 137 (2012), 22A531
    Multi−state interactions in the 1,2,3−trifluorobenzene radical cation
  52. 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
  53. I. Baldea and H. Köppel
    Phys. Lett. A 376 (2012), 1645
    A physical limitation of the Wigner ``distribution'' function in molecular transport
  54. I. Baldea and H. Köppel
    Phys. Lett. A 376 (2012), 1472
    Evidence on single−molecule transport in electrostatically−gated molecular transistors
  55. 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
  56. 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
  57. M. Kayanuma, C. Daniel, H. Köppel and E. Gindensperger
    Coord. Chem. Reviews 255 (2011), 2693
    Photophysics of isomerizable Re(I) complexes: A theoretical analysis
  58. 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
  59. 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
  60. 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
  61. S. Gomez−Carrasco and H. Köppel
    Faraday Discuss. 150 (2011), 156−158
    Theoretical treatment of five strongly coupled electronic states of formaldehyde
  62. 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
  63. 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
  64. W. Domcke, D.R. Yarkony and H. Köppel, eds.
    Conical Intersections: Theory, Computation and Experiment,
    World Scientific, Singapore (2011)
  65. 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
  66. 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'"
  67. 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
  68. 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
  69. 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
  70. 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
  71. E. Gindensperger, H. Köppel and C. Daniel
    Chem. Commun. 46 (2010), 8225
    Mechanism of visible−light photoisomerization of a rhenium(I) carbonyl−diimine complex
  72. 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
  73. I. Bâldea and H. Köppel
    Phys. Rev. B 81 (2010), 193401
    Sources of negative differential resistance in electric nanotransport
  74. 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
  75. 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' ''
  76. 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
  77. 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
  78. 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
  79. 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
  80. 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)
  81. 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
  82. I. Baldea and H. Köppel
    Phys. Rev. B 79 (2009), 165317
    Studying the Single−Electron Transistor by Photoionization
  83. I. Baldea and H. Köppel
    Phys. Rev. B 80 (2009), 165301
    Critical analysis of a variational method used to describe molecular electronic transport
  84. 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
  85. 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
  86. 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
  87. 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
  88. 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
  89. 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
  90. 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.
  91. S. Faraji and H. Köppel
    J. Chem. Phys. 129 (2008), 074310
    Multistate vibronic interactions in difluorobenzene radical cations. I Electronic structure calculations.
  92. 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
  93. 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
  94. 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
  95. 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
  96. 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−)
  97. 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
  98. 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
  99. 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
  100. 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
  101. 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
  102. 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
  103. 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
  104. 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
  105. H. Köppel and B. Schubert
    Mol. Phys. 104 (2006), 1069−1079
    The concept of regularized diabatic states for a general conical intersection
  106. 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
  107. 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?
  108. 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
  109. 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
  110. 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
  111. 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
  112. 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
  113. 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+
  114. 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
  115. 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
  116. 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
  117. 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
  118. 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
  119. 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
  120. 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
  121. 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
  122. H. Köppel
    Faraday Discuss. 127 (2004), 35−47
    Regularized diabatic states and quantum dynamics on intersecting potential energy surfaces
  123. 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
  124. 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
  125. W. Domcke, D. R. Yarkony and H. Köppel, eds.
    Conical Intersections, Advanced Series in Physical Chemistry 15
    World Scientific, NJ, Singapore (2004)
  126. 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
  127. L. S. Cederbaum
    in: Conical Intersections, ed. W. Domcke, D.R. Yarkony and H. Köppel, World Scientific, NJ, (2004)
    Born−Oppenheimer approximation and beyond
  128. 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
  129. I. Baldea and H. Köppel
    Eur. Phys. J. D 30 (2004), 209−215
    Three−dimensional vibronic analysis of the B' system of Na3
  130. 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
  131. 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
  132. 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
  133. 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
  134. 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
  135. 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
  136. 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
  137. M. Bittner and H. Köppel
    Phys. Chem. Chem. Phys. 5 (2003), 4604−4611
    Reaction path description of the vinylidene−acetylene isomerization
  138. 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
  139. 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
  140. 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
  141. R. Schork and H. Köppel
    Phys. Chem. Chem. Phys. 3 (2001), 891−894
    Theoretical investigation of the photoelectron spectra of the vinylidene anions
  142. 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
  143. 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
  144. 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
  145. 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
  146. H. Köppel, J. Gronki and S. Mahapatra
    J. Chem. Phys. 115 (2001), 2377−2388
    Construction scheme for regularized diabatic states
  147. I. Baldea, H. Köppel and L. S. Cederbaum
    Synthetic Metals 119 (2001), 561
    Tunneling−driven quantum phase transitions in mesoscopic commensurate systems
  148. 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
  149. I. Baldea, H. Köppel and L. S. Cederbaum
    Phys. Rev. B 63 (2001), 155308
    Symmetry−adapted BCS−type trial wave functions for mesoscopic rings
  150. R. Schork and H. Köppel
    Chem. Phys. Lett. 326 (2000), 277−282
    Unexpected stability of vinylidene from 5D ab initio quantum−dynamical calculations
  151. 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
  152. H. Köppel, M. Döscher and S. Mahapatra
    Int. J. Quant. Chem. 80 (2000), 942−949
    Femtosecond wavepacket dynamics on strongly coupled potential energy surfaces
  153. U. Höper, P. Botschwina and H. Köppel
    J. Chem. Phys. 112 (2000), 4132−4142
    Theoretical study of the Jahn−Teller effect in X2E CH3O
  154. 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
  155. A. Thiel and H. Köppel
    J. Chem. Phys. 110 (1999), 9371−9383
    Proposal and numerical test of a simple diabatization scheme.
  156. 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
  157. 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 NO−2.
  158. S. Mahapatra and H. Köppel
    Chem. Phys. Lett. 306 (1999), 387−394
    Semiclassical approch to the Rydberg emission spectra of H3 and its isotopomers.
  159. 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
  160. N. Dobrodey, H. Köppel and L. S. Cederbaum
    Phys. Rev. A 60 (1999), 1988−1998
    Vibrational structure of the O1s ionization spectrum of CO2
  161. 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
  162. I. Baldea, H. Köppel and L. S. Cederbaum
    Synthetic Metals 101 (1999), 394
    Structural change in mesoscopic Peierls chains
  163. I. Baldea, H. Köppel and L. S. Cederbaum
    J. Phys. Soc. Japan 68 (1999), 1954−1962
    Quantum phonon fluctuations in mesoscopic dimerized systems
  164. H. Köppel and W. Domke
    in: Encyclopedia of computational chemistry, ed. P.v.R Schleyer, Wiley, (1998)
    Vibronic dynamics in polyatomic molecules
  165. 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.
  166. R. Schork and H. Köppel
    Theoretical Chemistry Accounts 100 (1998), 204−211
    Ab initio quantum dynamical study of the vinylidene−acetylene isomerization.
  167. J. Schön and H. Köppel
    J. Chem. Phys. 108 (1998), 1503−1515
    Geometric phases and quantum dynamics in spin−orbit coupled systems.
  168. 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
  169. 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.
  170. I. Baldea, H. Köppel and L. S. Cederbaum
    Solid State Communications 106 (1998), 733
    How small can a Peierls dimerized chain be?
  171. 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
  172. I. Baldea, H. Köppel and L. S. Cederbaum
    Eur. Phys. J. B 3 (1998), 507
    The smooth structural change in mesoscopic Peierls chains
  173. 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.
  174. H. Köppel
    Z. für Physikal. Chemie 200 (1997), 3−10
    Examples of Jahn−Teller coupling effects in molecular spectroscopy and internal conversion dynamics.
  175. 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
  176. 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.
  177. 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+.
  178. 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.
  179. 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
  180. M. Mayer, L. S. Cederbaum and H. Köppel
    J. Chem. Phys. 104 (1996), 8932
    Rovibronic coupling in the Na3B system
  181. 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+
  182. J. Schön and H. Köppel
    J. Chem. Phys. 103 (1995), 9292−9301
    Geometric phase effects and wave packet dynamics on intersecting potential energy surfaces.
  183. 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.
  184. 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
  185. 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
  186. 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.
  187. I. Baldea, H. Köppel and L. S. Cederbaum
    Solid State Communications 93 (1995), 817
    Analytical results in CDW systems beyond the strong pinning limit
  188. I. Baldea, L. S. Cederbaum and H. Köppel
    J. Phys. Soc. Jpn. 64 (1995), 356
    Analytical explanation for numerical simulation results on CDW
  189. 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
  190. 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.
  191. 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.
  192. 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(1B1−1A2).
  193. 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+ (2A1−2B2 )
  194. 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
  195. 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
  196. H. Köppel and R. Meiswinkel
    Z. Phys. D 32 (1994), 153−156
    Point−charge model for vibronic coupling constants of metal atom trimers.
  197. 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.
  198. T. Pacher, L. S. Cederbaum and H. Köppel
    Adv. Chem. Phys. 84 (1993), 293
    Adiabatic and quasidiabatic states in a gauge theoretical framework
  199. 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
  200. R. Meiswinkel and H. Köppel
    Chem. Phys. Lett. 201 (1993), 449−457
    Combined Jahn−Teller and Pseudo−Jahn−Teller effects in the P4+ cation.
  201. 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.
  202. 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
  203. 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)∞.
  204. H. Köppel
    Chem. Phys. Lett. 205 (1993), 361−370
    New ultrafast nonradiative decay mechanism in the benzene radical cation.
  205. 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
  206. 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
  207. L. S. Cederbaum and H. Köppel
    J. Phys. A 25 (1992), L311
    The distorted Jahn−Teller effect.
  208. 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
  209. 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
  210. R. Meiswinkel and H. Köppel
    Z. Phys. D 19 (1991), 63−66
    A pseudo−Jahn−Teller treatment of the B system of Na3.
  211. U. Manthe and H. Köppel
    Chem. Phys. Lett. 178 (1991), 36−42
    Three−dimensional wave packet dynamics on vibronically coupled dissociative potential energy surfaces.
  212. 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
  213. 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
  214. F. Fischer, H. Köppel and L. S. Cederbaum
    Synthetic Metals 41 (1991), 3597
    Multimode Peierls distortions
  215. 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.
  216. E. Ohrendorf, H. Köppel, L. S. Cederbaum, F. Tarantelli and A. Sgamellotti
    J. Electr. Spectrosc. 51 (1990), 211
    On the Auger spectrum of ethylene
  217. R. Meiswinkel and H. Köppel
    Chem. Phys. 144 (1990), 117−128
    A Pseudo−Jahn−Teller Treatment of the Pseudorotational Spectrum of Na3.
  218. 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.
  219. 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.
  220. Th. Zimmermann, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 91 (1989), 3934
    Statistical fluctuations of decay rates
  221. 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
  222. 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
  223. R. Meiswinkel and H. Köppel
    Chem. Phys. 129 (1989), 463−476
    Impact of totally symmetric vibrations on the E x e Jahn−Teller effect.
  224. 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
  225. 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.
  226. 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
  227. 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
  228. 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
  229. T. Pacher, L. S. Cederbaum and H. Köppel
    J. Chem. Phys. 89 (1988), 7367
    Approximately diabatic states from blockdiagonalization of the electronic Hamiltonian
  230. E. Ohrendorf, L. S. Cederbaum and H. Köppel
    Chem. Phys. Lett. 151 (1988), 273
    On multidimensional avoided crossings of potential energy surfaces
  231. 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.
  232. F. Fischer, H. Köppel and L. S. Cederbaum
    Phys. Rev. B 37 (1988), 9477
    Non−Peierls structural phase transitions in one−dimensional Peierls systems
  233. 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
  234. Th. Zimmermann, L. S. Cederbaum, H.−D. Meyer and H. Köppel
    J. Phys. Chem. 91 (1987), 4446
    Statistical properties of energy levels
  235. Th. Zimmermann, H. Köppel, H.−D. Meyer and L. S. Cederbaum
    Physica Scripta 35 (1987), 125
    Energy level statistics of coupled oscillators
  236. 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
  237. 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
  238. 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.
  239. 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
  240. Th. Zimmermann, H. Köppel and L. S. Cederbaum
    J. Chem. Phys. 83 (1985), 4697
    On the bilinear vibronic coupling mechanism
  241. 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
  242. 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
  243. 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
  244. H.−D. Meyer and H. Köppel
    J. Chem. Phys. 81 (1984), 2605−2619
    Time evolution of fluorescence and strong nonadiabatic effects.
  245. H. Köppel, W. Domcke and L. S. Cederbaum
    Adv. Chem. Phys. 57 (1984), 59−246
    Multimode molecular dynamics beyond the Born−Oppenheimer approximation.
  246. H. Köppel, L. S. Cederbaum and W. Domcke
    Chem. Phys. Lett. 110 (1984), 469
    Strong non−adiabatic effects in C2D4+
  247. H. Köppel and H.−D. Meyer
    Chem. Phys. Lett. 107 (1984), 149−154
    Novel aspects of ultrafast non−radiative processes.
  248. 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
  249. H. Köppel
    Chem. Phys. 77 (1983), 359−375
    Ultrafast non−radiative decay via conical intersections of molecular potential energy surfaces: C2H4+.
  250. 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.
  251. E. Haller, H. Köppel and L. S. Cederbaum
    Chem. Phys. Lett. 101 (1983), 215
    On the statistical behaviour of molecular vibronic energy levels
  252. 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+
  253. 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+.
  254. H. Köppel, L. S. Cederbaum and W. Domcke
    Chem. Phys. 69 (1982), 175
    Strong non−Condon effects induced by electron correlation: N2O+
  255. 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
  256. L. S. Cederbaum and H. Köppel
    Chem. Phys. Lett 87 (1982), 14
    What happens when several closely lying electronic states interact through nuclear motion?
  257. H. Köppel, W. Domcke and L. S. Cederbaum
    J. Chem. Phys. 74 (1981), 2945−2968
    Theory of vibronic coupling in linear molecules.
  258. W. Domcke, H. Köppel and L. S. Cederbaum
    Mol. Phys. 43 (1981), 851
    Spectroscopic effects of conical intersections of molecular potential energy surfaces
  259. L. S. Cederbaum, H. Köppel and W. Domcke
    Int. J. Quant. Chem. S 15 (1981), 251
    Multimode vibronic coupling effects in molecules
  260. H. Köppel, E. Haller, L. S. Cederbaum and W. Domcke
    Mol. Phys. 41 (1980), 669−677
    Jahn−Teller effect for very strong coupling.
  261. E. Haller, L. S. Cederbaum, W. Domcke and H. Köppel
    Chem. Phys. Lett. 72 (1980), 427
    Two−mode Jahn−Teller effect in NH3+
  262. L. S. Cederbaum, W. Domcke, J. Schirmer and H. Köppel
    J. Chem. Phys. 72 (1980), 1348
    Dynamical calculation of satellite intensities
  263. 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.
  264. 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+.
  265. 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
  266. H. Köppel, W. Domcke, W. von Niessen and L. S. Cederbaum
    Mol. Phys. 35 (1978), 1283
    On the Jahn−Teller effect in NH3+
  267. L. S. Cederbaum, W. Domcke and H. Köppel
    Chem. Phys. 33 (1978), 319
    Jahn−Teller effect induced by non−degenerate vibrational modes in cumulenes
  268. 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
  269. 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

 

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