PROGRAM SUMMARY
Title of program:
NUMCBAS
Catalogue identifier:
ADPW
Ref. in CPC:
144(2002)224
Distribution format: tar gzip file
Operating system: Digital UNIX V5.0, IBM AIX 4.3.2.0
High speed store required:
0.1MK words
Number of bits in a word:
32
Number of lines in distributed program, including test data, etc:
882
Keywords:
Bessel and Coulomb functions, Atomic physics, Electron scattering,
Molecular physics.
Programming language used: Fortran
Computer:
Compaq Alpha-DEC ,
IBM RS/6000 .
Nature of physical problem:
Evaluation/calculation of Bessel and Coulomb functions. Provides input
for GTOBAS (this paper).
Method of solution:
Numerical integration of the Schrodinger equation from both boundaries
and matching using de Vogelaere's algorithm.
Restrictions:
The program could in principle solve a model scattering problem with any
kind of potential, although in its present form, only Coulomb potentials
can be input.
Typical running time:
Typically, 0.03s.