Hannover 2003 – scientific programme
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MO: Molekülphysik
MO 12: Poster II
MO 12.29: Poster
Thursday, March 27, 2003, 16:00–18:30, Lichthof
Correlated electronic and nuclear dynamics in a simple model system — •Marco Erdmann1, P. Marquetand1, C. Meier2, and V. Engel1 — 1Institut für Physikalische Chemie, Universität Würzburg, D-97074 Würzburg, Germany — 2Laboratoire Collisions, Agrégats et Réactivité (IRSAMC), Université Paul Sabatier, 31062 Toulouse, France
We use a simple model for the description of a combined electronic and nuclear motion. A variation of the electron–nuclei interaction energy allows us to study the transition from an adiabatically uncoupled situation to the case where the adiabatic approximation breaks down. Wave-packet calculations illustrate the dynamical changes of electronic and nuclear probability densities in a non-adiabatic transition. The influence of the coupling on the transport of electron density between different ions is investigated with the help of time–dependent Laplacians and Wigner phase–space distributions.