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

Published: 1 January 1978| Version 1 | DOI: 10.17632/c3mmbg98hy.1
A. Salin


Title of program: MEDOC Catalogue Id: ACXY_v1_0 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. CORRECTION SUMMARY: Vol:Year:Page 20:1980:462 "000A CORRECTION 22/08/80" "Calculation of wave-functions and collision matrix elements for one- electron diatomic molecules. (C.P.C. 14(1978)121)." A. Salin Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data acxy_v1_0; MEDOC; 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)



Physical Chemistry, Molecular Physics, Computational Physics