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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 X²B_g 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 D²E_1u and E²B_2u 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)]_∞.

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