ACCURATE NUMERICAL-SOLUTION OF THE RADIAL SCHRODINGER AND DIRAC WAVE-EQUATIONS

Citation
F. Salvat et al., ACCURATE NUMERICAL-SOLUTION OF THE RADIAL SCHRODINGER AND DIRAC WAVE-EQUATIONS, Computer physics communications, 90(1), 1995, pp. 151-168
Citations number
15
Categorie Soggetti
Mathematical Method, Physical Science","Physycs, Mathematical","Computer Science Interdisciplinary Applications
ISSN journal
00104655
Volume
90
Issue
1
Year of publication
1995
Pages
151 - 168
Database
ISI
SICI code
0010-4655(1995)90:1<151:ANOTRS>2.0.ZU;2-Z
Abstract
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 .