Close coupling test of classical and semiclassical cross sections for rotationally inelastic Ar–N2 collisions
- 15 April 1975
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 62 (8) , 3143-3148
- https://doi.org/10.1063/1.430861
Abstract
Accurate quantum mechanical close coupling (CC) integral cross sections are reported for rotationally inelastic Ar–N2 collisions at room temperature using an empirical intermolecular potential. These cross sections are used to test the infinite order sudden (IOS) approximation and the results of several methods [classical trajectories (CT), full sudden (SA), generalized phase shift (GPS), and classical limit generalized phase shift (CGPS)] as reported in the preceding paper by Pattengill. The IOS approximation works very well for cross sections involving low rotational states. The CT method works well for all the cross sections examined, justifying the popular belief that the rotational motion of N2 is essentially classical at room temperature.Keywords
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