coupling, cross sections, IOS, quantum mechanics
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.
Original Publication Citation
Pack, Russell T."Close coupling test of classical and semiclassical cross sections for rotationally inelastic Ar-N[sub 2] collisions." The Journal of Chemical Physics 62 (1975): 3143-3148.
BYU ScholarsArchive Citation
Pack, Russell T., "Close coupling test of classical and semiclassical cross sections for rotationally inelastic Ar-N2 collisions" (1975). All Faculty Publications. 782.
Physical and Mathematical Sciences
Chemistry and Biochemistry
© 1975 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics and may be found at http://link.aip.org/link/?JCPSA6/62/3143/1
Copyright Use Information