Kavli Affiliate: David T. Limmer
| First 5 Authors: Thomas P. Fay, David T. Limmer, , ,
| Summary:
We describe a method for simulating exciton dynamics in protein-pigment
complexes, including effects from charge transfer as well as fluorescence. The
method combines the hierarchical equations of motion, which are used to
describe quantum dynamics of excitons, and the Nakajima-Zwanzig quantum master
equation, which is used to describe slower charge transfer processes. We study
the charge transfer quenching in light harvesting complex II, a protein
postulated to control non-photochemcial quenching in many plant species. Using
our hybrid approach, we find good agreement between our calculation and
experimental measurements of the excitation lifetime. Furthermore our
calculations reveal that the exciton energy funnel plays an important role in
determining quenching efficiency, a conclusion we expect to extend to other
proteins that perform protective excitation quenching. This also highlights the
need for simulation methods that properly account for the interplay of exciton
dynamics and charge transfer processes.
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