An. Drozdov, HIGH-ACCURACY DISCRETE PATH-INTEGRAL SOLUTIONS FOR STOCHASTIC-PROCESSES WITH NONINVERTIBLE DIFFUSION MATRICES .2. NUMERICAL EVALUATION, The Journal of chemical physics, 107(9), 1997, pp. 3505-3520
We present a fast, high precision and easily implementable path integr
al method for numerically solving Fokker-Planck equations. It is based
on a generalized Trotter formula, which permits one to attain an adeq
uate description of dynamical and equilibrium properties even though t
he time increment tau= t/N is rather large. A remarkable property of t
he symmetric Trotter splitting is used to systematically eliminate the
lower-order errors resulting from time discretization. This means a s
ignificant reduction of the number of time steps that are required to
retain a given accuracy for a given net increment t=N tau, and, theref
ore, significantly increasing the feasibility of path integral calcula
tions. Yet another attractive feature of the present technique is that
it allows for equations with singular diffusion matrices that are kno
wn to present a special problem within the scope of the path integral
formalism. The favorable scaling of the fast Fourier transform is used
to numerically evaluate the path integral on a grid. High efficiency
is achieved due to the Stirling interpolation which dynamically readju
sts the distribution function every time step with a mild increase in
cost and with no loss of precision. These developments substantially i
mprove the path integral method and extend its applicability to variou
s time-dependent problems which are difficult to treat by other means.
One can even afford to extract information on eigenvalues and eigenfu
nctions from a time-dependent solution thanks to the numerical efficie
ncy of the present technique. This is illustrated by calculating the p
ropagator and the lowest eigenvalues of a one-dimensional Fokker-Planc
k equation. The method is also applied to a two-dimensional Fokker-Pla
nck equation, whose diffusion matrix does not possess;an inverse (a so
-called Klein-Kramers equation). The numerical applications show our m
ethod to be a dramatic improvement over the standard matrix multiplica
tion techniques available for evaluating path integrals in that it is
much more efficient in terms of speed and storage requirements. (C) 19
97 American Institute of Physics.