The Spherical Symmetric Diffusion Problem
Evgenii B. Krissinel' and Noam Agmon
We introduce a general and versatile MS Windows application for solving the
spherically symmetric diffusion problem, involving up to two
coupled spherically symmetric Smoluchowski equations.
It is based on a modular, configurable, user-friendly graphical interface,
in which input parameters are introduced through
a graphical representation of the system of partial differential equations and
output attributes can be obtained graphically during propagation.
The numerical algorithm consists of finite differencing in space and Chebyshev
propagation in time. It includes an implementation of
virtual-gridding, which enhances the accuracy of calculating
boundary conditions and steep potentials.
The program has been checked against a wide collection of analytical solutions
and applied to an experimentally open problem in excited-state proton-transfer