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MO: Fachverband Molekülphysik

MO 9: Theory 2: Molecular Dynamics & Quantum Chemistry

MO 9.5: Vortrag

Dienstag, 18. März 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.