Computer simulation of fluorescence spectra for molecular ring: Exciton dynamics

Kód výsledku v IS VaVaI

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RIV/62690094:18470/11:10072359 RIV/00216275:25410/11:39892200

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Computer simulation of fluorescence spectra for molecular ring: Exciton dynamics

Popis výsledku v původním jazyce

Software package Mathematica is used for computer simulation of steady state fluorescence spectra of ring molecular system. The cyclic antenna unit LH2 of the bacterial photosystem from purple bacterium Rhodopseudomonas acidophila can be modeled by suchsystem. Dynamic disorder, interaction with a bath, is included in Markovian approximation. Also three different models of uncorrelated static disorder are taking into account in our simulations: Gaussian disorder in local excitation energies, Gaussian disorder in transfer integrals and Gaussian disorder in radial positions of molecules in the ring. The cumulantexpansion method of Mukamel et al. is used for the calculation of spectral responses of the system with exciton-phonon coupling. The peak positions of single ring spectra and localizations of exciton states depend on realization of static disorder. Dynamic disorder also influences the peak position. We discuss different types of exciton dynamics, that are coupled to above mentione

Název v anglickém jazyce

Computer simulation of fluorescence spectra for molecular ring: Exciton dynamics

Popis výsledku anglicky

Software package Mathematica is used for computer simulation of steady state fluorescence spectra of ring molecular system. The cyclic antenna unit LH2 of the bacterial photosystem from purple bacterium Rhodopseudomonas acidophila can be modeled by suchsystem. Dynamic disorder, interaction with a bath, is included in Markovian approximation. Also three different models of uncorrelated static disorder are taking into account in our simulations: Gaussian disorder in local excitation energies, Gaussian disorder in transfer integrals and Gaussian disorder in radial positions of molecules in the ring. The cumulantexpansion method of Mukamel et al. is used for the calculation of spectral responses of the system with exciton-phonon coupling. The peak positions of single ring spectra and localizations of exciton states depend on realization of static disorder. Dynamic disorder also influences the peak position. We discuss different types of exciton dynamics, that are coupled to above mentione

Druh

D - Stať ve sborníku

CEP obor

BE - Teoretická fyzika

OECD FORD obor

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Projekt

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Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2011

Kód důvěrnosti údajů

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

Název statě ve sborníku

Proceedings of the 13th WSEAS International Conference on Mathematical and Computational Methods in Science and Engineering

ISBN

978-1-61804-046-6

ISSN

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e-ISSN

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Počet stran výsledku

6

Strana od-do

182-187

Název nakladatele

WSEAS Press

Místo vydání

Atény

Místo konání akce

Catania

Datum konání akce

3. 11. 2011

Typ akce podle státní příslušnosti

EUR - Evropská akce

Kód UT WoS článku

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