On a semiclassical study of molecular collisions. I. General method

Abstract

A method has been developed for calculating rotationally inelastic cross sections of atom‐diatom collisions in a semiclassical approximation (classical path, quantum internal states). An analysis of the relations among the intermolecular potential, the cross sections, and the experimental quantities indicates that many experiments related to inelastic scattering give significant information about the intermolecular potential. A computer program embodying this method of calculation has been developed and tested. Quantities related to experimental measurements have been calculated to within experimental accuracy in a reasonable computing time, which suggests that the information about the intermolecular potential contained in various experimental results can be extracted by a semiclassical calculation.