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 10.21: Poster
Dienstag, 18. März 2014, 16:30–18:30, Spree-Palais
Stochastic wave-function approach to two-dimensional vibronic spectroscopy — •Johannes Wehner1, Mirjam Falge1, Walter T. Strunz2, and Volker Engel1 — 1Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Emil-Fischer-Str. 42, 97074 Würzburg, Germany — 2Institut für Theoretische Physik, TU Dresden, 01062 Dresden, Germany
Wave-packet dynamics derived from the time-dependent Schrödinger equation is nicely illustrative because it appeals to our classical intuition. However, there is no single reduced wave-packet for a system interacting with an environment. Nevertheless, the wave packet picture for the system dynamics can still be used under certain assumptions concerning the system-bath coupling. If the reduced density matrix fulfills a master equation of the Lindblad type, stochastic wave function equations can be set up which, in the average, are equivalent to the Lindblad master equation. We apply the quantum-diffusion stochastic approach to two-dimensional vibronic spectroscopy. Spectra are calculated and related to the underlying stochastic wave-packet dynamics.