Triatom, select and rotlev — For the calculation of the ro-vibrational levels of triatomic molecules

Published: 1 January 1986| Version 1 | DOI: 10.17632/33ym7xhy9v.1
Jonathan Tennyson


Title of program: ROTLEV Catalogue Id: AALQ_v1_0 Nature of problem ROTLEV performs the second step in a two-step variational calculation for the bound ro-vibrational levels of a triatomic system, especially those with large total angular momentum, using the generalised body- fixed coordinates developed by Sutcliffe and Tennyson. Versions of this program held in the CPC repository in Mendeley Data AALQ_v1_0; ROTLEV; 10.1016/0010-4655(86)90042-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics