About: Computer simulation of fluorescence spectra for molecular ring: Exciton dynamics

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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 such system. 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 mentioned effects. 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 such system. 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 mentioned effects. (en)
Title	Computer simulation of fluorescence spectra for molecular ring: Exciton dynamics Computer simulation of fluorescence spectra for molecular ring: Exciton dynamics (en)
skos:prefLabel	Computer simulation of fluorescence spectra for molecular ring: Exciton dynamics Computer simulation of fluorescence spectra for molecular ring: Exciton dynamics (en)
skos:notation	RIV/00216275:25410/11:39892200!RIV13-MSM-25410___
http://linked.open...avai/predkladatel	Fakulta ekonomicko-správní
http://linked.open...avai/riv/aktivita	I S
http://linked.open...avai/riv/aktivity	I, S
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Zapletal, David
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Pardubice / Fakulta ekonomicko-správní
http://linked.open...dnocenehoVysledku	191551
http://linked.open...ai/riv/idVysledku	RIV/00216275:25410/11:39892200
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Mathematica; exciton states and dynamics; static and dynamic disorder; fluorescence spectrum; LH2 (en)
http://linked.open.../riv/klicoveSlovo	LH2 Mathematica exciton states and dynamics fluorescence spectrum static and dynamic disorder
http://linked.open...ontrolniKodProRIV	[126C39F37474]
http://linked.open...v/mistoKonaniAkce	Catania
http://linked.open...i/riv/mistoVydani	Atény
http://linked.open...i/riv/nazevZdroje	Proceedings of the 13th WSEAS International Conference on Mathematical and Computational Methods in Science and Engineering
http://linked.open...in/vavai/riv/obor	BE
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...UplatneniVysledku	2011
http://linked.open...iv/tvurceVysledku	Heřman, Pavel Zapletal, David
http://linked.open...vavai/riv/typAkce	EUR - Evropská
http://linked.open.../riv/zahajeniAkce	2011-11-03 (xsd:date)
number of pages	6 (xsd:int)
http://purl.org/ne...btex#hasPublisher	WSEAS Press
https://schema.org/isbn	978-1-61804-046-6
http://localhost/t...ganizacniJednotka	25410
is http://linked.open...avai/riv/vysledek of	Computer simulation of fluorescence spectra for molecular ring: Exciton dynamics

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