Computer Simulation of Steady State Emission and Absorption Spectra for Molecular Ring
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F62690094%3A18440%2F11%3A10072360" target="_blank" >RIV/62690094:18440/11:10072360 - isvavai.cz</a>
Alternative codes found
RIV/62690094:18470/11:10072360 RIV/00216275:25410/12:39892202 RIV/00216275:25410/11:39892202
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Computer Simulation of Steady State Emission and Absorption Spectra for Molecular Ring
Original language description
Software package Mathematica is used for computer simulation of absorption spectra and steady state fluorescence spectra of ring molecular system, which can model cyclic antenna unit LH2 of the bacterial photosystem from purple bacterium Rhodopseudomonasacidophila. Three different models of uncorrelated static disorder are included 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. Calculated fluorescence spectra are compared with measured one. Values of the interpigment interaction energy and unperturbed transition energy from the ground state for above mentioned static disorder types are given.
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
BE - Theoretical physics
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
ADVCOMP 2011 : the fifth international conference on Advanced engineering computing and applications in sciences
ISBN
978-1-61208-172-4
ISSN
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e-ISSN
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Number of pages
6
Pages from-to
1-6
Publisher name
Xpert publishing services
Place of publication
Lisboa
Event location
Lisabon
Event date
Nov 20, 2011
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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