Home // ADVCOMP 2011, The Fifth International Conference on Advanced Engineering Computing and Applications in Sciences // View article

Computer Simulation of Steady State Emission and Absorption Spectra for Molecular Ring

Authors:
Pavel Herman
David Zapletal
Milan Horak

Keywords: LH2 ring; exciton; fluorescence spectrum; static disorder; dynamic disorder; Mathematica

Abstract:
Knowledge of optical properties could shed more light on initial ultrafast phases of bacterial photosynthesis. 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.

Pages: 1 to 6

Copyright: Copyright (c) IARIA, 2011

Publication date: November 20, 2011

Published in: conference

ISSN: 2308-4499

ISBN: 978-1-61208-172-4

Location: Lisbon, Portugal

Dates: from November 20, 2011 to November 25, 2011