PROGRAM SUMMARY
Title of program:
MTRXCOUL
Catalogue identifier:
ADMW
Ref. in CPC:
133(2000)119
Distribution format: gzip file
Operating system: MS-DOS
High speed store required:
224K words
Number of bits in a word:
8
Number of lines in distributed program, including test data, etc:
2749
Keywords:
Atomic physics, Coulomb interaction, Matrix elements, Ionization,
Hydrogenic wave functions, Coulomb functions, Multipole series
expansion.
Programming language used: Fortran
Computer:
IBM PC .
Nature of problem:
The theoretical description of the excitation and ionization of atoms by
charged particle impact often requires the knowledge of the matrix
elements of the Coulomb interaction. The program MTRXCOUL calculates
the matrix elements between bound and free states represented by
non-relativistic hydrogenic wave functions.
Method of solution:
The algorithm is based on the multipole series expansion of the Coulomb
potential.
The program uses the Library routines F3Y [1] and COULCC [2] which are
included in the distributed program.
Restrictions:
The matrix elements can be calculated with the following restrictions.
The initial bound states are limited to 1s, 2s, 2p, 3s, 3p, 3d. The
quantum number l in the final state has a maximum value of 10.
Typical running time:
The test run requires about 20 s.
References:
[1] A. Liberato de Brito, Comput. Phys. Commun. 25 (1982) 81. [2] I.J. Thompson, A.R. Barnett, Comput. Phys. Commun. 36 (1985) 363.