Theory of reactive scattering

Publisher Website
Google Scholar
Abstract
Reactive collision probabilities have been calculated in a collinear approximation for a model representing the proton transfer scattering system of Cross derivative terms in the kinetic energy operator are neglected and the potential surface employed is modelled after the ab initio surface calculated by Brown and Hayes. The range of energies studied is 0–3 eV which includes the first four vibrational states of H2 + and the first three states of HeH+. The calculations were performed using the coupled channel τ operator equations of Baer and Kouri. The results are in qualitative agreement with the experimental cross section versus energy data of Chupka, Berkowitz and Russell. The effects of the approximations made are briefly discussed and comparisons with predictions of classical mechanics are made.