Scott M. Auerbach and Claude Leforestier, ``A new computational
algorithm for Green's functions: Fourier transform of the Newton
polynomial expansion,'' Comput. Phys. Commun. 78, 55-66 (1993).
1103-1112 (1994).
Abstract
A new iterative method to compute the Green's function for
continuum systems
is presented. It is based on a Newton polynomial expansion of the
corresponding propagator, followed by accurate half-Fourier transformation.
The new technique is remarkably stable, accurate and can handle
very large systems.
We apply the new method to the calculation of three-dimensional
quantum reaction probabilities for the initial state-selected
D+H2(n,j) ->
DH+H reaction. We find excellent agreement with previous
results, requiring very modest amounts of CPU time.
Prof SM Auerbach
28 August 2000