Reprint of “The effect of site-specific spectral densities on the high-dimensional exciton-vibrational dynamics in the FMO complex”

Jan Schulze, Mohamed F. Shibl, Jaber Al Marri, Oliver Kühn

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish
JournalChemical Physics
DOIs
Publication statusAccepted/In press - 1 Jan 2018

Fingerprint

Spectral density
excitons
configurations
excitation
LDS 751
Experiments

Keywords

  • Exciton-vibrational coupling
  • FMO complex
  • Frenkel excitons
  • Photosynthesis
  • Quantum dynamics

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Reprint of “The effect of site-specific spectral densities on the high-dimensional exciton-vibrational dynamics in the FMO complex”. / Schulze, Jan; Shibl, Mohamed F.; Al Marri, Jaber; Kühn, Oliver.

In: Chemical Physics, 01.01.2018.

Research output: Contribution to journalArticle

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