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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 27: INTERNAL SYMPOSIUM Optical Spectroscopy II

CPP 27.2: Talk

Thursday, March 29, 2007, 15:00–15:15, H40

A real time, real space approach for calculating 2D spectra in heterogeneous systems — •Ben Brüggemann^1,2, Pär Kjellberg¹, and Tonu Pullerits¹ — ¹Department of Chemical Physics, Lund University, Sweden — ²Institut für Physik, Humboldt-Universität zu Berlin

A non-perturbative approach is used to calculate nonlinear spectra using a multi-exciton density matrix theory. All interaction orders are reproduced simultaneously, but analog to the experiment they can be distinguished by the different phase matching directions. This is possible due to the summation of the polarizations for a number of randomly placed molecules, but since orientational averaging and energetic disorder can be included at the same time the additional computational effort is moderate. The method is applied to the FMO complex to calculate 2D frequency resolved spectra, which show good agreements with experimental data [1]. The advantage of the presented method is that the intensity dependence of the 2D spectrum can be investigated, as well as the signal from higher order phase matched directions. [1] T. Brixner et al. Nature 434, 625 (2005).