Computational Procedure for the Close-Coupled Rotational Excitation Problem: Scattering of Diatomic Molecules by Atoms

1 June 1968

journal article
Published by AIP Publishing in The Journal of Chemical Physics

Vol. 48 (11) , 4896-4904
https://doi.org/10.1063/1.1668153

Abstract

A computational procedure is described for the integration of the coupled differential equations and determination of the probability matrices required for the accurate evaluation of cross sections for rotational excitation of diatomic molecules. The Arthurs–Dalgarno theory of scattering of an atom by a rigid rotator is employed. The approach developed takes advantage of several of the computational schemes used in the field of electron–atom scattering, particularly those of Smith. The principal virtue of the present computational method is its capability of generating “exact” results to serve as standards against which to compare various approximations such as sudden, dominant coupling, and distorted wave.

Keywords

This publication has 27 references indexed in Scilit:

Rotational Excitation of Diatomic Molecules by Slow Electrons: Application to $H_{2}$
Physical Review B, 1967
The rotational excitation of molecular hydrogen
Proceedings of the Physical Society, 1967
Exchange and Direct Second Virial Coefficients for Hard Spheres
The Journal of Chemical Physics, 1966
Scattering of Electrons by Atomic Systems with Configurations $2 p^{q}$ and $3 p^{q}$
Physical Review B, 1966
Electron Excitation Cross Section of the $3 {}^{2}S \to 3 {}^{2}P$ Transition of Sodium
Physical Review B, 1965
Inelastic Scattering from a Diatomic Molecule: Rotational Excitation upon Collision between He and $H_{2}$ and $H_{2}$ and $H_{2}$
Physical Review B, 1963
The Low-Energy Scattering of Electrons and Positrons by Hydrogen Atoms
Reviews of Modern Physics, 1962
Effect of Virtual Excitations on the Elastic Scattering of Electrons and Positrons by Atomic Hydrogen
Physical Review B, 1961
The theory of scattering by a rigid rotator
Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1960
The Conversion of Metastable Helium from the Singlet to the Triplet State by Electron Collision
Proceedings of the Physical Society. Section A, 1957