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  • 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 Rhodopseudomonas acidophila. 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.
  • 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 Rhodopseudomonas acidophila. 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. (en)
Title
  • Computer Simulation of Steady State Emission and Absorption Spectra for Molecular Ring
  • Computer Simulation of Steady State Emission and Absorption Spectra for Molecular Ring (en)
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  • Computer Simulation of Steady State Emission and Absorption Spectra for Molecular Ring
  • Computer Simulation of Steady State Emission and Absorption Spectra for Molecular Ring (en)
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  • RIV/00216275:25410/11:39892202!RIV13-MSM-25410___
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  • I, S
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  • 191554
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  • RIV/00216275:25410/11:39892202
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  • Mathematica; dynamic disorder; static disorder; fluorescence spectrum; exciton; LH2 ring (en)
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  • [D71D4F5902E7]
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  • Lisbon
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  • Proceedings of the 5th International Conference on Advanced Engineering Computing and Applications in Sciences
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  • Heřman, Pavel
  • Horák, Milan
  • Zapletal, David
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  • WSEAS Press
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  • 978-1-61208-172-4
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  • 25410
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