The Effect Of Site-Specific Spectral Densities On The High-Dimensional Exciton-Vibrational Dynamics In The Fmo Complex (Reprint From, Vol 497, Pg 10, 2017)

CHEMICAL PHYSICS(2018)

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摘要
The coupled exciton-vibrational dynamics of a three-site model of the FMO complex is investigated using the Multi-layer Multi-configuration Time-dependent Hartree (ML-MCTDH) approach. Emphasis is put on the effect of the spectral density on the exciton state populations as well as on the vibrational and vibronic non-equilibrium excitations. Models which use either a single or site-specific spectral densities are contrasted to a spectral density adapted from experiment. For the transfer efficiency, the total integrated Huang-Rhys factor is found to be more important than details of the spectral distributions. However, the latter are relevant for the obtained non-equilibrium vibrational and vibronic distributions and thus influence the actual pattern of population relaxation. (C) 2017 Elsevier B.V. All rights reserved.
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关键词
Frenkel excitons,Exciton-vibrational coupling,Quantum dynamics,Photosynthesis,FMO complex
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