Abstract.
The combined electronic and nuclear motion during a predissociation process is studied in a model system. The latter consists of an electron and an ion which are allowed to move in one dimension and interact with each other and two fixed ions via screened Coulomb interactions. The fragmentation dynamics is illustrated in terms of the temporal changes of electronic and nuclear densities. In this way it is possible to reveal the influence of non-adiabatic coupling, not only on the nuclear wave-packet motion, but also on the transient electronic structure.
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References
M. Born, K. Huang, Theory of Crystal Lattices (Oxford University Press, London, 1954)
G. Herzberg, Spectra of Diatomic Molecules (van Nostrand Reinhold, New York, 1950)
H. Köppel, W. Domcke, L.S. Cederbaum, Adv. Chem. Phys. 57, 59 (1984)
R. Schinke, Photodissociation Dynamics (Cambridge University Press, Cambridge, 1993)
M.S. Child, Molecular Collision Theory (Dover Publications, Mineola, 1996)
B.H. Bransden, M.R.C. Mcdowell, Charge Exchange and the Theory of Ion-Atom Collisions (Clarendon Press, Oxford, 2003)
C.A. Mead, J. Chem. Phys. 70, 2276 (1979)
Conical Intersections: Electronic Structure, Dynamics and Spectroscopy, edited by W. Domcke, D.R. Yarkony, H. Köppel (World Scientific, Singapore, 2004)
T.S. Rose, M.J. Rosker, A.H. Zewail, J. Chem. Phys. 91, 7415 (1989)
V. Engel et al. , Chem. Phys. Lett. 152, 1 (1988)
M. Grønager, N.E. Henriksen, J. Chem. Phys. 109, 4335 (1998)
E. Deumens, A. Diz, R. Longo, Y. Öhrn, Rev. Mod. Phys. 66, 917 (1994)
H. Yu, T. Zuo, A.D. Bandrauk, Phys. Rev. A 54, 3290 (1996)
S. Chelkowski, C. Foisy, A.D. Bandrauk, Phys. Rev. A 57, 1176 (1996)
I. Kawata, H. Kono, A.D. Bandrauk, Phys. Rev. A 64, 043411 (2001)
M. Lein, E. Gross, T. Kreibich, V. Engel, Phys. Rev. A 65, 033403 (2002)
T. Kreibich, N.I. Gidopoulos, R. van Leeuwen, E. Gross, Prog. Theo. Chem. Phys. 14, 69 (2003)
S. Shin, H. Metiu, J. Chem. Phys. 102, 9285 (1995)
S. Shin, H. Metiu, J. Phys. Chem. 100, 7867 (1996)
M. Erdmann, P. Marquetand, V. Engel, J. Chem. Phys. 119, 672 (2003)
M. Erdmann, V. Engel, J. Chem. Phys. 120, 158 (2004)
M.D. Feit, J.A. Fleck, A. Steiger, J. Comput. Phys. 47, 412 (1982)
D. Neuhauser, M. Baer, J. Chem. Phys. 90, 4351 (1989)
U.V. Riss, H.-D. Meyer, J. Chem. Phys. 105, 1409 (1996)
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Received: 10 June 2004, Published online: 24 August 2004
PACS:
31.50.Gh Surface crossings, non-adiabatic couplings - 31.70.Hq Time-dependent phenomena: excitation and relaxation processes, and reaction rates
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Erdmann, M., Baumann, S., Gräfe, S. et al. Electronic predissociation: a model study. Eur. Phys. J. D 30, 327–333 (2004). https://doi.org/10.1140/epjd/e2004-00105-4
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DOI: https://doi.org/10.1140/epjd/e2004-00105-4