Modeling of Emission and Absorption Spectra of LH2 Complex (B850 and B800 Ring) - Full Hamiltonian Model

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F62690094%3A18470%2F16%3A50004648" target="_blank" >RIV/62690094:18470/16:50004648 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216275:25410/16:39902038

Výsledek na webu

<a href="http://www.naun.org/main/NAUN/mcs/2016/a542001-453.pdf" target="_blank" >http://www.naun.org/main/NAUN/mcs/2016/a542001-453.pdf</a>

DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Modeling of Emission and Absorption Spectra of LH2 Complex (B850 and B800 Ring) - Full Hamiltonian Model

Popis výsledku v původním jazyce

Simulated absorption and steady state fluorescence spectra for the model of peripheral cyclic antenna unit LH2 from purple bacteria are presented. The spectra for more complex system (B850 and B800 ring) are calculated within full Hamiltonian model and these results are compared with the previous ones calculated within the nearest neighbour approximation model. Dynamic disorder, interaction with phonon bath, in Markovian approximation simultaneously with uncorrelated static disorder in local excitation energies are taking into account in our simulations. The cumulant-expansion method of Mukamel et al. is used for the calculation of spectral responses of the system with exciton-phonon coupling. The localization of exciton states is also investigated.

Název v anglickém jazyce

Modeling of Emission and Absorption Spectra of LH2 Complex (B850 and B800 Ring) - Full Hamiltonian Model

Popis výsledku anglicky

Simulated absorption and steady state fluorescence spectra for the model of peripheral cyclic antenna unit LH2 from purple bacteria are presented. The spectra for more complex system (B850 and B800 ring) are calculated within full Hamiltonian model and these results are compared with the previous ones calculated within the nearest neighbour approximation model. Dynamic disorder, interaction with phonon bath, in Markovian approximation simultaneously with uncorrelated static disorder in local excitation energies are taking into account in our simulations. The cumulant-expansion method of Mukamel et al. is used for the calculation of spectral responses of the system with exciton-phonon coupling. The localization of exciton states is also investigated.

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

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2016

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

10

Číslo periodika v rámci svazku

duben

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

208-217

Kód UT WoS článku

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EID výsledku v databázi Scopus

2-s2.0-84964026773