COUPLED-CHANNEL EQUATION FOR POTENTIALS WITH A COULOMB SINGULARITY
Citation
E. Badralexe et al., COUPLED-CHANNEL EQUATION FOR POTENTIALS WITH A COULOMB SINGULARITY, Computer physics communications, 82(2-3), 1994, pp. 120-128
Categorie Soggetti
Mathematical Method, Physical Science","Physycs, Mathematical","Computer Science Interdisciplinary Applications
SICI code
0010-4655(1994)82:2-3<120:CEFPWA>2.0.ZU;2-W
Abstract
A method for solving the coupled channel equation for potentials with
a Coulomb singularity is presented: At small r, where the Coulomb term
is dominant, the solution is expressed by using the variation of cons
tants method in terms of the Coulomb functions F(l) and G(l). At large
r, where the Coulomb potential is no longer important, one returns to
the usual variable phase method which ''presses the solution in terms
of Bessel functions and Neumann functions. Furthermore, the use of an
interpolation scheme for the energy dependence considerably reduces t
he amount of computation. The advantages of this approach when used in
conjunction with the point group symmetry are illustrated by using a
realistic potential taken from a full potential linearized augmented p
lane wave (FLAPW) calculation for Cu.