FCFRKR — A procedure to evaluate Franck-Condon type integrals for diatomic molecules

Published: 1 January 1982| Version 1 | DOI: 10.17632/khx924fp4r.1
H. Telle, U. Telle


Title of program: FCFRKR Catalogue Id: AAOR_v1_0 Nature of problem This program package is concerned with the construction of RKR potentials and the solution of the Schrodinger equation for the nuclear motion ofdiatomic molecules (vibrational-rotational wave functions). ... ADAPTATION SUMMARY: Vol:Year:Page 36:1985:109 "0001 FCFRKR*ADAPT1" "Comments on the program FCFRKR." H.H. Telle; U. Telle ADAPTATION SUMMARY: Vol:Year:Page 36:1985:109 "0002 FCFRKR*LEVEL2CDC" "Comments on the program FCFRKR." H.H. Telle; U. Telle Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAOR_v1_0; FCFRKR; 10.1016/0010-4655(82)90059-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics