Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] admw_v1_0.gz(25 Kbytes)|
|Manuscript Title: A Fortran program to calculate the matrix elements of the Coulomb interaction involving hydrogenic wave functions.|
|Authors: L. Sarkadi|
|Program title: MTRXCOUL|
|Catalogue identifier: ADMW_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 133(2000)119|
|Programming language: Fortran.|
|Computer: IBM PC.|
|Operating system: MS-DOS.|
|RAM: 224K words|
|Word size: 8|
|Keywords: Atomic physics, Coulomb interaction, Matrix elements, Ionization, Hydrogenic wave functions, Coulomb functions, Multipole series expansion.|
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.
The algorithm is based on the multipole series expansion of the Coulomb potential.
The program uses the Library routines F3Y  and COULCC  which are included in the distributed program.
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.
The test run requires about 20 s.
|||A. Liberato de Brito, Comput. Phys. Commun. 25 (1982) 81.|
|||I.J. Thompson, A.R. Barnett, Comput. Phys. Commun. 36 (1985) 363.|
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