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

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dc.contributor.author Heřman, Pavel cze
dc.contributor.author Zapletal, David cze
dc.date.accessioned 2017-05-11T11:17:25Z
dc.date.available 2017-05-11T11:17:25Z
dc.date.issued 2016 eng
dc.identifier.issn 1998-0159 eng
dc.identifier.uri http://hdl.handle.net/10195/67673
dc.description.abstract 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. eng
dc.format p. 208-217 eng
dc.language.iso eng eng
dc.relation.ispartof International Journal of Mathematics and Computers in Simulation, volume 10, issue: duben eng
dc.rights open access eng
dc.subject LH2 eng
dc.subject B800 ring eng
dc.subject B850 ring eng
dc.subject absorption and fluorescence spectrum eng
dc.subject static and dynamic disorder eng
dc.subject exciton eng
dc.subject states eng
dc.subject localization eng
dc.title Modeling of Emission and Absorption Spectra of LH2 Complex (B850 and B800 Ring) - Full Hamiltonian Model eng
dc.title.alternative Modelování emisních a absorpčních spekter komplexu LH2 (prstenec B850 a B800) - model plného hamiltoniánu cze
dc.type article eng
dc.description.abstract-translated Jsou prezentována simulovaná absorpcní a stacionární fluorescencní spektra pro model periferní cyklické anténní jednotky LH2 z purpurových bakterií. V rámci modelu plného hamiltoniánu jsou pocítána spektra pro komplexnejší systém (prstenec B850 a B800) a tyto výsledky jsou porovnávány s predchozími výsledky získanými v rámci modelu aproximace nej bližších sousedu. Do simulací je zahrnut dynamický neporádek - interakce s fononovou lázní v Markovoské aprpximaci - soucasne s nekorelovaným statickým neporádkem v lokálních excitacních energiích. Pro výpocet spektrální odezvy systému s exciton-fononovou vazbou je použita Mukamelova metoda kumulantu. Je též zkoumána lokalizace excitonových stavu. cze
dc.peerreviewed yes eng
dc.publicationstatus postprint eng
dc.relation.publisherversion http://www.naun.org/main/NAUN/mcs/2016/a542001-453.pdf
dc.identifier.scopus 2-s2.0-84964026773
dc.identifier.scopus 2-s2.0-84964026773
dc.identifier.obd 39877914 eng


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