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Manuscript Title: Calculation of wave-function and collision matrix elements for one- electron diatomic molecules. See erratum Comp. Phys. Commun. 15(1978)443.
Authors: A. Salin
Program title: GRAVE
Catalogue identifier: ACXX_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 14(1978)121
Programming language: Fortran.
Computer: IRIS 80.
Operating system: SIRIS 8.
RAM: 12K words
Word size: 32
Peripherals: disc.
Keywords: Molecular integral, Collision, Diatomic, Molecular physics, One-electron, Ion-atom, Wave function, Bound state, Inelastic.
Classification: 16.10.

Nature of problem:
Determination of the wave-functions for one-electron diatomic molecules by semi-analytic expansions. Results may be used by the program MEDOC to calculate collision matrix elements.

Solution method:
The problem is reduced to the solution of a system of linear equations.

The eigen-energies should be obtained beforehand (a very efficient program is available). Bound states only.