Generalized Master Equation with Non-Markovian Multichromophoric Förster Resonance Energy Transfer for Modular Exciton Densities

Jang, Seogjoo; Hoyer, Stephan; Fleming, Graham; Whaley, K. Birgitta

doi:10.1103/PhysRevLett.113.188102

Generalized Master Equation with Non-Markovian Multichromophoric Förster Resonance Energy Transfer for Modular Exciton Densities

Journal Article · Fri Oct 31 00:00:00 EDT 2014 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.113.188102· OSTI ID:1407258

Jang, Seogjoo; Hoyer, Stephan; Fleming, Graham; Whaley, K. Birgitta

A generalized master equation (GME) governing quantum evolution of modular exciton density (MED) is derived for large scale light harvesting systems composed of weakly interacting modules of multiple chromophores. The GME-MED offers a practical framework to incorporate real time coherent quantum dynamics calculations of small length scales into dynamics over large length scales, and also provides a non-Markovian generalization and rigorous derivation of the Pauli master equation employing multichromophoric Förster resonance energy transfer rates. A test of the GME-MED for four sites of the Fenna-Matthews-Olson complex demonstrates how coherent dynamics of excitonic populations over coupled chromophores can be accurately described by transitions between subgroups (modules) of delocalized excitons. Application of the GME-MED to the exciton dynamics between a pair of light harvesting complexes in purple bacteria demonstrates its promise as a computationally efficient tool to investigate large scale exciton dynamics in complex environments.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1407258

Alternate ID(s):: OSTI ID: 1753958
OSTI ID: 1180630

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 18 Vol. 113; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Delocalized excitons in natural light-harvesting complexes Jang, Seogjoo J.; Mennucci, Benedetta Reviews of Modern Physics, Vol. 90, Issue 3 https://doi.org/10.1103/revmodphys.90.035003	journal	August 2018
Geometry Effects on Light‐Harvesting Complex's Light Absorption and Energy Transfer in Purple Bacteria Zeng, Lingyu; Liao, Zeyang; Wang, Xue‐hua Photochemistry and Photobiology, Vol. 95, Issue 6 https://doi.org/10.1111/php.13129	journal	July 2019
Delocalized excitons in natural light harvesting complexes Jang, Seogjoo J.; Mennucci, Benedetta arXiv https://doi.org/10.48550/arxiv.1804.09711	text	January 2018

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