Towards a quantitative description of excitonic couplings in photosynthetic pigment–protein complexes: quantum chemistry driven multiscale approaches-Reference-Cited by-同舟云学术

Towards a quantitative description of excitonic couplings in photosynthetic pigment–protein complexes: quantum chemistry driven multiscale approaches

Published:2022 Issue:8 Volume:24 Page:5014-5038
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Friedl Christian¹,Fedorov Dmitri G.²^ORCID,Renger Thomas¹^ORCID

Affiliation:

1. Institut für Theoretische Physik, Johannes Kepler Universität Linz, Altenberger Str. 69, 4040 Linz, Austria

2. Research Center for Computational Design of Advanced Functional Materials (CD-FMat), National Institute of Advanced Industrial Science and Technology (AIST), Central 2, Umezono 1-1-1, Tsukuba, 305-8568, Japan

Abstract

The importance of reaction field and screening effects on the excitonic couplings is demonstrated, and from quantum-chemical calculations a single scaling factor is derived that can be used to improve simple models based on the Poisson equation.

Funder

Austrian Science Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP03566E

Reference108 articles.

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2. in FRET – Förster resonance energy transfer , ed. I. Medintz and N. Hildebrandt , Wiley , Weinheim , 2013

3. in Light-harvesting in photosynthesis , ed. R. Croce , R. van Grondelle , H. van Amerongen and I. van Stokkum , CRC Press , Boca Rata , 2018