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Theory and Simulation of the Environmental Effects on FMO Electronic Transitions

Open access
Olbrich, Carsten, Strümpfer, Johan, Schulten, Klaus, Kleinekathöfer, Ulrich·2011·The Journal of Physical Chemistry Letters

Abstract

Long-lived quantum coherence has been experimentally observed in the Fenna-Matthews-Olson (FMO) light-harvesting complex. It is much debated which role thermal effects play and if the observed low-temperature behavior arises also at physiological temperature. To contribute to this debate we use molecular dynamics simulations to study the coupling between the protein environment and the vertical excitation energies of individual bacteriochlorophyll molecules in the FMO complex of the green sulphur bacterium Chlorobaculum tepidum. The so-called spectral densities, which account for the environmental influence on the excited state dynamics, are determined from temporal autocorrelation functions of the energy gaps between ground and first excited states of the individual pigments. Although the overall shape of the spectral density is found to be rather similar for all pigments, variations in their magnitude can be seen. Differences between the spectral densities for the pigments of the FMO monomer and FMO trimer are also presented.

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Metadata

Authors
Olbrich, C., Strümpfer, J., Schulten, K., & Kleinekathöfer, U.
Venue
The Journal of Physical Chemistry Letters
Published
2011-07-05
Volume
2
Issue
14
Pages
1771-1776
ISSN
1948-7185 (ISSN-L)
OpenAlex
W2026766829
Cited by
233
References
8
FWCI
13.38
Type
journal article
Language
en
Open access
green

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