Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe

MO: Molekülphysik

MO 12: Poster II

MO 12.29: Poster

Donnerstag, 27. März 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.