Cross sections for the rotationally inelastic scattering of Ne + N2: application of the exponential semi-classical distorted wave approximation
- 1 June 1975
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 29 (6) , 1797-1811
- https://doi.org/10.1080/00268977500101591
Abstract
Exact quantum-mechanical close-coupling and approximate calculations are presented for Ne + N2 collisions using a model potential. The approximate calculations were performed using an exponential semi-classical distorted wave approximation (ESCDW) which is outlined in the paper. The ESCDW approximation involves the evaluation of the same integrals as the standard distorted wave approximation. The former method, however, in contrast to the latter, yields a unitary S matrix and therefore conserves particle flux. The exponentiation process is shown to lead to dramatic improvements in the calculated cross sections for the present system. Cross sections evaluated using the ESCDW approximation compare very well with exact ones over the entire range of thermally accessible energies. Total and differential rotationally inelastic cross sections are presented and their variation with energy is examined. The dependence of the cross sections on the number of coupled channels included in the calculations is also investigated and a sufficient number of channels are included to ensure convergence.Keywords
This publication has 14 references indexed in Scilit:
- General discussionFaraday Discussions of the Chemical Society, 1973
- Rational selection of methods for molecular scattering calculationsFaraday Discussions of the Chemical Society, 1973
- Semiclassical approximations in wave mechanicsReports on Progress in Physics, 1972
- Close-Coupling Studies of Rotational Excitation in H-CollisionsPhysical Review A, 1971
- Opacity analysis of inelastic molecular collisions exponential approximationsChemical Physics Letters, 1970
- Thermal-energy atom-molecule collisionsJournal of Physics B: Atomic and Molecular Physics, 1969
- New Method for Constructing Wavefunctions for Bound States and ScatteringThe Journal of Chemical Physics, 1969
- Coupled Equations and the Minimum Principle for Collisions of an Atom and a Diatomic Molecule, Including RearrangementsThe Journal of Chemical Physics, 1969
- Computational Investigation of Internal Excitation in Nonreactive Molecular Collisions: Resonances in Rotational ExcitationThe Journal of Chemical Physics, 1968
- The theory of scattering by a rigid rotatorProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1960