title: Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics.
abstract: Using a model for coupled electronic-nuclear motion we investigate the range from negligible to strong non-adiabatic coupling. In the adiabatic case, the quantum dynamics proceeds in a single electronic state, whereas for strong coupling a complete transition between two adiabatic electronic states takes place. It is shown that in all coupling regimes the short-time wave-packet dynamics can be described using ensembles of classical trajectories in the phase space spanned by electronic and nuclear degrees of freedom. We thus provide an example which documents that the quantum concept of non-adiabatic transitions is not necessarily needed if electronic and nuclear motion is treated on the same footing.
authors.affiliation: Universität Würzburg, Institut für Physikalische und Theoretische Chemie, Emil-Fischer-Str. 42, Campus Nord, 97074 Würzburg, Germany.
authors.forename: Julian
authors.initials: J
authors.lastname: Albert
authors.affiliation: Universität Würzburg, Institut für Physikalische und Theoretische Chemie, Emil-Fischer-Str. 42, Campus Nord, 97074 Würzburg, Germany.
authors.forename: Dustin
authors.initials: D
authors.lastname: Kaiser
authors.affiliation: Universität Würzburg, Institut für Physikalische und Theoretische Chemie, Emil-Fischer-Str. 42, Campus Nord, 97074 Würzburg, Germany.
authors.forename: Volker
authors.initials: V
authors.lastname: Engel