Classical dynamics: The study of vibrational and rotational excitation in Li+, H2

Abstract

A classical study of translational, rotational, and vibrational energy exchange in the systen Li⁺, H₂ is presented. The potential surface used was the ab initio Lester surface appropriate for rotational and vibrational energy transfer studies. The effect of initial energy configuration and orientation variables on the energy transfer processes was studied. A central force calculation of the deflection function was made for comparison with that obtained from an anisotropic potential. The primary mode of energy transfer to the internal degrees of freedom is from translational energy.