F. Salvat et al., ACCURATE NUMERICAL-SOLUTION OF THE RADIAL SCHRODINGER AND DIRAC WAVE-EQUATIONS, Computer physics communications, 90(1), 1995, pp. 151-168
A FORTRAN 77 subroutine package for the numerical solution of the Schr
odinger and Dirac wave equations for central fields is presented. The
considered fields are such that the function V(r) drop rV(r) is finite
for all r and tends to constant values for r --> 0 and r --> infinity
. This includes finite-range fields as well as combinations of Coulomb
and short-range fields. The potential energy function V(r) used in th
e calculation is the natural cubic spline that interpolates a table of
values provided by the user. The radial wave equations are solved by
using piecewise exact power series expansions of the radial functions,
which are summed up to the prescribed accuracy so that truncation err
ors can be completely avoided. Normalized radial wave functions, eigen
values for bound states and phase shifts for free states are evaluated
.