INFLUENCE OF MOLECULAR-REORIENTATION ON ELECTRONIC-ENERGY TRANSFER BETWEEN A PAIR OF MOBILE CHROMOPHORES - THE STOCHASTIC LIOVILLE EQUATIONCOMBINED WITH BROWNIAN DYNAMIC SIMULATION TECHNIQUES
I. Fedchenia et Po. Westlund, INFLUENCE OF MOLECULAR-REORIENTATION ON ELECTRONIC-ENERGY TRANSFER BETWEEN A PAIR OF MOBILE CHROMOPHORES - THE STOCHASTIC LIOVILLE EQUATIONCOMBINED WITH BROWNIAN DYNAMIC SIMULATION TECHNIQUES, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 50(1), 1994, pp. 555-565
An algorithm is developed in order to solve the stochastic Liouville e
quation describing energy transfer between a donor-donor pair of reori
enting chromophores. The algorithm requires the fluctuating part of th
e Liouville equation in the form of trajectories. In this particular c
ase the molecular reorientation of the chromophores was simulated by m
eans of a Brownian dynamic simulation technique where each of the two
molecules are allowed to undergo a restricted rotational diffusion in
a cone potential. Numerical results are presented for the correlation
function [chi(t)chi(0)], representing the probability that the initial
ly excited donor still is excited at a later time t. Results are given
for the weak or Forster regime and for a simple case in the strong or
slow motion regime. The time resolved fluorescence anisotropy r (t) i
s also calculated for different molecular reorientational rates and co
ne potentials.