Simulation of Emission Spectra for LH4 Ring - Fluctuations in Radial Positions of Molecules

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25410%2F15%3A39899733" target="_blank" >RIV/00216275:25410/15:39899733 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/62690094:18470/15:50003963

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Simulation of Emission Spectra for LH4 Ring - Fluctuations in Radial Positions of Molecules

Popis výsledku v původním jazyce

Results of computer simulation of steady state fluorescence spectra and absorption ones for ring molecular systems are presented. The peripheral cyclic antenna unit LH4 of the bacterial photosystem from purple bacteria can be modeled by such system. Thecumulant-expansion method of Mukamel et al. is used for the calculation of spectral responses of the system with exciton-phonon coupling. Dynamic disorder, interaction with a bath, in Markovian approximation simultaneously with uncorrelated static disorder in radial positions of molecules are taking into account in our simulations. Also localization of exciton states is studied and discussed. We compare calculated results for LH4 ring obtained within the full Hamiltonian model with our previous resultswithin the nearest neighbour approximation model. Comparison with the results calculated within different types of uncorrelated static disorder is also done.

Název v anglickém jazyce

Simulation of Emission Spectra for LH4 Ring - Fluctuations in Radial Positions of Molecules

Popis výsledku anglicky

Results of computer simulation of steady state fluorescence spectra and absorption ones for ring molecular systems are presented. The peripheral cyclic antenna unit LH4 of the bacterial photosystem from purple bacteria can be modeled by such system. Thecumulant-expansion method of Mukamel et al. is used for the calculation of spectral responses of the system with exciton-phonon coupling. Dynamic disorder, interaction with a bath, in Markovian approximation simultaneously with uncorrelated static disorder in radial positions of molecules are taking into account in our simulations. Also localization of exciton states is studied and discussed. We compare calculated results for LH4 ring obtained within the full Hamiltonian model with our previous resultswithin the nearest neighbour approximation model. Comparison with the results calculated within different types of uncorrelated static disorder is also done.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

IN - Informatika

OECD FORD obor

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Projekt

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Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2015

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

International Journal of Biology and Biomedical Engineering

ISSN

1998-4510

e-ISSN

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Svazek periodika

9

Číslo periodika v rámci svazku

jaro

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

65-74

Kód UT WoS článku

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EID výsledku v databázi Scopus

2-s2.0-84942616863