Analytic vibrational matrix elements for diatomic molecules

Main Author: CPC, Mendeley
Other Authors: Bouanich, J.P., Ogilvie, J.F., Tipping, R.H.
Format: Dataset
Terbitan: Mendeley , 1986
Subjects:
Online Access: https:/data.mendeley.com/datasets/ndgp4rmfkf
Daftar Isi:
  • Title of program: VIBMATEL Catalogue Id: AAFQ_v1_0 Nature of problem The vibrational matrix elements and expectation values for a diatomic molecule, including the rotational dependence, are calculated for powers of the reduced displacement in terms of the parameters of the Dunham potential-energy function. Versions of this program held in the CPC repository in Mendeley Data AAFQ_v1_0; VIBMATEL; 10.1016/0010-4655(86)90100-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)