Hannover 2010 – scientific programme
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MO: Fachverband Molekülphysik
MO 26: Poster: Biomolecules
MO 26.7: Poster
Thursday, March 11, 2010, 16:00–18:30, Lichthof
Absorption spectra of molecular aggregates at finite temperature — •Sebastian Möbius1, Gerhard Ritschel1, Jan Roden2, Alexander Eisfeld2, and Walter Strunz1 — 1Institut für Theoretische Physik, Dresden, Germany — 2MPIPKS, Dresden, Germany
We compare different methods to calculate molecular absorption spectra for a monomer in a thermal environment. Starting with a master equation that describes the molecular system and a finite temperature bath, it is possible to derive an expression for the absorption spectrum using the quantum regression theorem. On the other hand, approaches via stochastic Schrödinger equations are discussed: first, the influence of a thermal environment can be replaced by a suitably chosen Markov process. Secondly, employing colored processes, the dynamics of the vibrational degrees of freedom at finite temperature may be described efficiently by c-numbers as well [1]. Aiming at absorption spectra of molecular aggregates, we investigate the efficiency of stochastic methods.
[1] J. Roden, A. Eisfeld, W. Wolff, W. T. Strunz, Phys. Rev. Lett. 103, 058301 (2009)