Spectroscopic energy coefficients for vibration-rotational states of dinuclear molecules

Published: 1 January 1983| Version 1 | DOI: 10.17632/mn97v593cw.1
J.F. Ogilvie


Title of program: YDY84C Catalogue Id: ACET_v1_0 Nature of problem The spectroscopic energy coefficients Ykl and their derivatives with respect to the parameters are calculated from a known set of the parameters: coefficients cj (1<j<10) in the potential-energy function, and harmonic vibrational omega e, and rotational Be, quantities. Versions of this program held in the CPC repository in Mendeley Data ACET_v1_0; YDY84C; 10.1016/0010-4655(83)90127-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics