inelastic molecular scattering, strong coupling, IOS, partial cross sections, atom-diatom collisions, close-coupling
Partial cross sections (opacity functions) for rotational transitions in atom-diatom collisions are computed in the infinite-order sudden (IOS) approximation and compared with accurate close-coupling (CC) calculations. Agreement is good in the dominant coupling (small total angular momentum J) region. Simple methods for calculating integral inelastic cross sections are discussed, and it is found that accurate cross sections can often be computed very simply, even when large numbers of channels are coupled together, by using IOS or first-order sudden (FOS) approximations for small J and CC or exponential Born (EBDW) methods for large J.
Original Publication Citation
Tsien, Thomas P., Gregory A. Parker, and Russell T. Pack."Rotationally inelastic molecular scattering. Computational tests of some simple solutions of the strong coupling problem." The Journal of Chemical Physics 59 (1973): 5373-5381.
BYU ScholarsArchive Citation
Tsien, Thomas P.; Parker, Gregory A.; and Pack, Russell T., "Rotationally inelastic molecular scattering. Computational tests of some simple solutions of the strong coupling problem" (1973). All Faculty Publications. 785.
Physical and Mathematical Sciences
Chemistry and Biochemistry
© 1973 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/?JCPSA6/59/5373/1
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