https://doi.org/10.1140/epjd/e2004-00105-4
Electronic predissociation: a model study
Institut für Physikalische Chemie, Universität Würzburg, Am Hubland,
97074 Würzburg, Germany
Corresponding author: a voen@phys-chemie.uni-wuerzburg.de
Received:
18
February
2004
Revised:
10
June
2004
Published online:
24
August
2004
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.
PACS: 31.50.Gh – Surface crossings, non-adiabatic couplings / 31.70.Hq – Time-dependent phenomena: excitation and relaxation processes, and reaction rates
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2004
