Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] acxy_v1_0.gz(13 Kbytes)
Manuscript Title: Calculation of wave-functions and collision matrix elements for one- electron diatomic molecules.
Authors: A. Salin
Program title: MEDOC
Catalogue identifier: ACXY_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 14(1978)121
Programming language: Fortran.
Computer: IRIS 80.
Operating system: SIRIS 8.
RAM: 14K words
Word size: 32
Peripherals: disc.
Keywords: Collision, Integral, Diatomic, One-electron, Molecular physics, Collision matrix element, Bound state, Inelastic, Ion-atom.
Classification: 16.10.

Subprograms used:
Cat Id Title Reference
ACXX_v1_0 GRAVE CPC 14(1978)121

Revision history:
Type Tit le Reference
correction 000A CORRECTION 22/08/80 See below

Nature of problem:
Determination of the norm of the wave-functions and of radial and rotational coupling matrix elements between the states of one electron diatomic molecules. The wave-functions are given by the program GRAVE.

Solution method:
The integrations are carried out either analytically or by Gauss- laguerre quadratures.

Restrictions:
Bound states only.

CORRECTION SUMMARY
Manuscript Title: Calculation of wave-functions and collision matrix elements for one- electron diatomic molecules. (C.P.C. 14(1978)121).
Authors: A. Salin
Program title: 000A CORRECTION 22/08/80
Catalogue identifier: ACXY_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 20(1980)462
Classification: 16.10.