Calculation of wave-functions and collision matrix elements for one-electron diatomic molecules

Published: 1 January 1978| Version 1 | DOI: 10.17632/x3mr68fmmg.1
Contributor:
A. Salin

Description

Title of program: GRAVE Catalogue Id: ACXX_v1_0 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. Versions of this program held in the CPC repository in Mendeley Data acxx_v1_0; GRAVE; 10.1016/0010-4655(78)90055-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Categories

Physical Chemistry, Molecular Physics, Computational Physics

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