Dresden 2011 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 32: Transport and Spectroscopy in Molecular Nanostructures I (related to SYMN, jointly with MO)
CPP 32.4: Vortrag
Mittwoch, 16. März 2011, 14:45–15:00, ZEU 160
Atomistic modeling of light-harvesting complexes: dissipation, correlation and spectra — •Carsten Olbrich1, Thomas Jansen2, Jörg Liebers1, Mortaza Aghtar1, Johan Strümpfer3, Klaus Schulten3, Jasper Knoester2, and Ulrich Kleinekathöfer1 — 1Jacobs University Bremen, Germany — 2University of Groningen, Netherlands — 3University of Illinois, Urbana, USA
The light absorption in light-harvesting complexes is performed by
chlorophyll molecules. Recent experimental findings in some of these
complexes suggest the existence of long-lived coherences between the
individual pigments at low temperatures. In this context the question
arises if the bath-induced fluctuations at different chromophores are
spatially correlated or not. To this end we performed classical MD
simulations and semi-empirical quantum chemistry calculations on
some light-harvesting systems [1]. In these investigations at ambient
temperatures,
only weak correleted movement of the atoms and none for the sites could be
observed [2]. Ensemble-averaged wave packet dynamics will be used to study
the transfer of energy, i.e., excitons, in light-harvesting systems. On top
of this, the same techniques can be employed to determine two-dimensional
spectra which can be directly linked
to experiment.
[1] C. Olbrich and U. Kleinekathöfer, J. Phys. Chem. B 114, 12427(2010).
[2] C. Olbrich, J. Strümpfer, K. Schulten and U. Kleinekathöfer, J. Phys. Chem. B. (in press).