Berlin 2014 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 10: Posters 2: Biomolecules, Energy Transfer, Clusters, Quantum Chemistry, Molecular Dynamics and Chirality

MO 10.19: Poster

Dienstag, 18. März 2014, 16:30–18:30, Spree-Palais

Multiple time scale population transfer-dynamics in coupled electronic states — Martin Keß, Christoph Brüning, and •Volker Engel — Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Emil-Fischer-Str. 42, 97074 Würzburg, Germany

We regard the wave-packet dynamics in two electronic states which interact via a constant coupling element. Performing numerical calculations it is found that the time-dependent populations exhibit oscillatory variations with two characteristic periods. Whereas, as expected, one period is determined by the vibrational motion, it is shown that Rabi-type oscillations occur which are influenced by the parameters of the potential energy curves, the coupling and the amplitudes in the two states on one hand, and by the nuclear motion on the other. An analysis of the numerical results is performed within various levels of approximation.

Furthermore, we investigate how these structures survive if the one-dimensional model is extended to more degrees of freedom.