Analytic vibration-rotational matrix elements for diatomic molecules

Published: 1 January 1987| Version 1 | DOI: 10.17632/pgyx2p26j4.1
J.P. Bouanich


Title of program: ROTVIBMATEL Catalogue Id: ABBJ_v1_0 Nature of problem The vibrational-rotational matrix elements for infrared or Raman transitions vJ -> v'J' of diatomic molecules are calculated for powers of the reduced displacement X from parameters of the Dunham potential- energy function. Versions of this program held in the CPC repository in Mendeley Data ABBJ_v1_0; ROTVIBMATEL; 10.1016/0010-4655(87)90112-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)