Third version of a program for calculating the static interaction potential between an electron and a diatomic molecule
Description
Title of program: ONE CENTRE STATIC POTENTIAL Catalogue Id: ACQW_v3_0 [ACZR] Nature of problem The program calculates one-centre expansions for the two-centre wave function of a diatomic molecule ... CORRECTION SUMMARY: Vol:Year:Page 41:1986:179 "000A CORRECTION 28/01/86" "Errors in the three CPC versions of the program to calculate the single centre expansion of the electron diatomic-molecule static potential. (C.P.C. 20(1980)267)." L. Malegat; M. Le Dourneuf; V.K. Lan ADAPTATION SUMMARY: Vol:Year:Page 41:1986:179 "0001 PARAMETRIZED DIMENSIONS" "Errors in the three CPC versions of the program to calculate the single centre expansion of the electron diatomic-molecule static potential." L. Malegat; M. Le Dourneuf; V.K. Lan Note: adaptation instructions are contained in source code Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACQW_v1_0; STATIC INTERACTION POTENTIAL; 10.1016/0010-4655(71)90002-6 ACQW_v2_0; OCEP W.F. AND STATIC POTENTIAL; 10.1016/0010-4655(76)90055-2 ACQW_v3_0; ONE CENTRE STATIC POTENTIAL; 10.1016/0010-4655(80)90006-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)