Berlin 2014 – scientific programme
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MO: Fachverband Molekülphysik
MO 9: Theory 2: Molecular Dynamics & Quantum Chemistry
MO 9.5: Talk
Tuesday, March 18, 2014, 15:00–15:15, BEBEL SR144
Temperature-Dependent Absorption Spectra of Molecular Aggregates: Influence of non-Markovian Environment — •Gerhard Ritschel1, Walter T. Strunz2, and Alexander Eisfeld1 — 1Max-Planck Institute for the Physics of Complex Systems, Dresden — 2Technical University Dresden
We investigate theoretically absorption spectra of complexes of chromophores interacting electronically via resonant transition dipole-dipole interactions. Often the electronic excitation couples to vibrational degrees of freedom in a strongly frequency-dependent way, leading to non-Markovian effects. We developed a new approach based on non-Markovian quantum state diffusion, with which it is possible to non-perturbatively calculate optical spectra. The approach explicitly takes the coupling to peaked spectral densities into account. The method is highly effective, allowing systematic investigations of large parameter spaces. We study absorption spectra of linear chains of identical monomers in the J-aggregate limit, and identify several distinct regimes for the temperature-dependent widths of these absorption specta.