Hannover 2010 – scientific programme

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MO: Fachverband Molekülphysik

MO 3: Theory: Quantum Chemistry and Molecular Dynamics

MO 3.4: Talk

Monday, March 8, 2010, 17:30–17:45, F 102

Semiclassical dynamics of open quantum systems — Christoph-Marian Goletz, Werner Koch, and •Frank Grossmann — Institut für Theoretische Physik, TU Dresden, 01062 Dresden, Germany

The applicability of the Semiclassical Hybrid Dynamics (SCHD) [1] can be extended to the finite temperature case. Results obtained for the thermalization process of a harmonic as well as an anharmonic oscillator can then be compared to those obtained using the recently developed Semiclassical Brownian Motion method (SCBM) [2]. Since the SCHD method includes individual reservoir modes explicitly, their distribution can be tailored to accurately reflect all aspects of the environmental influence. Details that need to be taken care of in constructing the finite equivalent of the infinite bath are discussed and different contributions to the thermalization process are identified.

[1] C.-M. Goletz and F. Grossmann, J. Chem. Phys. 130, 244107 (2009)

[2] W. Koch, F. Grossmann, J. T. Stockburger, and J. Ankerhold, Phys. Rev. Lett. 100, 230402 (2008)

This work is supported by the DFG through grant GR1210/4-1.