Simulation of molecular ring emission spectra: localization of exciton states and dynamics

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25410%2F12%3A39895422" target="_blank" >RIV/00216275:25410/12:39895422 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/62690094:18470/12:50000676

Výsledek na webu

<a href="http://www.naun.org/wseas/cms.action?id=2827" target="_blank" >http://www.naun.org/wseas/cms.action?id=2827</a>

DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Simulation of molecular ring emission spectra: localization of exciton states and dynamics

Popis výsledku v původním jazyce

Computer simulation of steady state fluorescence spectra of the ring molecular system is presented in this paper. The cyclic antenna unit LH2 of the bacterial photosystem from purple bacterium Rhodopseudomonas acidophila can be modeled by such system. Three different models of uncorrelated static disorder are taking into account in our simulations: Gaussian disorder in local excitation energies, Gaussian disorder in nearest neighbour transfer integrals and Gaussian disorder in radial positions of molecules in the ring. Dynamic disorder, interaction with a bath, is also included in Markovian approximation. The cumulant-expansion method of Mukamel et al. is used for the calculation of spectral responses of the system with exciton-phonon coupling. The peak position of single ring spectra and localization of exciton states depend on realization of static disorder and is also influenced by dynamic disorder. We discuss different types of exciton dynamics too, that are coupled to above mentio

Název v anglickém jazyce

Simulation of molecular ring emission spectra: localization of exciton states and dynamics

Popis výsledku anglicky

Computer simulation of steady state fluorescence spectra of the ring molecular system is presented in this paper. The cyclic antenna unit LH2 of the bacterial photosystem from purple bacterium Rhodopseudomonas acidophila can be modeled by such system. Three different models of uncorrelated static disorder are taking into account in our simulations: Gaussian disorder in local excitation energies, Gaussian disorder in nearest neighbour transfer integrals and Gaussian disorder in radial positions of molecules in the ring. Dynamic disorder, interaction with a bath, is also included in Markovian approximation. The cumulant-expansion method of Mukamel et al. is used for the calculation of spectral responses of the system with exciton-phonon coupling. The peak position of single ring spectra and localization of exciton states depend on realization of static disorder and is also influenced by dynamic disorder. We discuss different types of exciton dynamics too, that are coupled to above mentio

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

2012

Kód důvěrnosti údajů

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

Název periodika

International Journal of Mathematics and Computers in Simulation

ISSN

1998-0159

e-ISSN

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Svazek periodika

1

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

144-152

Kód UT WoS článku

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EID výsledku v databázi Scopus

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