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Cited by 101Spectroscopy and Quantum Chemical StudiesPhotochemistry and Electron Transfer StudiesPhotosynthetic Processes and Mechanisms

Computational methodologies and physical insights into electronic energy transfer in photosynthetic light-harvesting complexes

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Pachón, Leonardo A., Brumer, Paul·2012·Physical Chemistry Chemical Physics
DOI 10.1039/c2cp40815e
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Abstract

We examine computational techniques and methodologies currently in use to explore electronic excitation energy transfer in the context of light-harvesting complexes in photosynthetic antenna systems, and comment on some new insights into the underlying physics. Advantages and pitfalls of these methodologies are discussed, as are some physical insights into the photosynthetic dynamics. By combining results from molecular modelling of the complexes (structural description) with an effective non-equilibrium statistical description (time evolution), we identify some general features, regardless of the particular distribution in the protein scaffold, that are central to light-harvesting dynamics and, that could ultimately be related to the high efficiency of the overall process. Based on these general common features, some possible new directions in the field are discussed.

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  • Traditional perturbative treatments (Lindblad, Redfield, modified Redfield) do not well model structured environments and non-perturbative coupling.

    “Both features are not well modeled by the traditional perturbative treatments that lead to master equations of Lindblad [139, 140], Redfield [141] or modified Redfield type [46, 142, 143] (see [60] for a review of master equations).”

    From Vibrations, quanta and biology (2013) · cites this paper as [143]

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Authors
Pachón, L. A., & Brumer, P.
Affiliations
University of Toronto (CA)
Corresponding author
Brumer, Paul
ORCID
Venue
Physical Chemistry Chemical Physics
Publisher
Royal Society of Chemistry (RSC)
Published
2012
Volume
14
Issue
29
Pages
10094
ISSN
  • 1463-9076 (ISSN-L)
  • 1463-9084
DOI
10.1039/c2cp40815e
OpenAlex
W2102080148
Cited by
101
References
151
Citations by year
2026: 2 · 2025: 1 · 2024: 3 · 2023: 2 · 2022: 2 · 2021: 4 · 2020: 4 · 2019: 3 · 2018: 11 · 2017: 7 · 2016: 12 · 2015: 15 · 2014: 15 · 2013: 16 · 2012: 3
FWCI
1.21
Type
journal article
Language
en
Open access
Locations
  • Physical Chemistry Chemical Physics (publishedVersion)
  • PubMed (publishedVersion)
  • arXiv (Cornell University) (submittedVersion)
  • arXiv (Cornell University)
Topics
  • Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Spectroscopy and Quantum Chemical Studies
  • Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Photochemistry and Electron Transfer Studies
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Photosynthetic Processes and Mechanisms
Keywords
excitation energy transfer, light-harvesting complexes, nonequilibrium statistical mechanics, protein scaffolds, energy transfer efficiency
MeSH terms
Computer Simulation, Electrons, Energy Transfer, Photosynthesis, Quantum Theory, Light-Harvesting Protein Complexes

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