ROTIONS: A program for the calculation of rotational excitation cross sections in electron—molecular ion collisions

Published: 1 November 1998| Version 1 | DOI: 10.17632/kfvfccz4hd.1
Ismanuel Rabadán, Jonathan Tennyson


Abstract ROTIONS is a program for the calculation of cross sections for rotational excitation of linear molecular ions by electron impact. The cross sections can be obtained from input T-matrices and from the Coulomb—Born approximation for dipole (Δj = 1) and quadrupole (Δj = 2) transitions. The Coulomb—Born results can be used to augment the low partial—wave T-matrices to an effectively infinite number of partial waves. Title of program: ROTIONS Catalogue Id: ADJA_v1_0 Nature of problem ROTIONS calculates rotational cross sections from body-frame T-martices and Coulomb-Born (CB) approximation for electron-molecular ion collisions. Versions of this program held in the CPC repository in Mendeley Data ADJA_v1_0; ROTIONS; 10.1016/S0010-4655(98)00068-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Physical Chemistry, Molecular Physics, Computational Physics