Keywords

inelastic molecular scattering, strong coupling, IOS, partial cross sections, atom-diatom collisions, close-coupling

Abstract

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.

Document Type

Peer-Reviewed Article

Publication Date

1973-11-15

Permanent URL

http://hdl.lib.byu.edu/1877/1356

Publisher

AIP

Language

English

College

Physical and Mathematical Sciences

Department

Chemistry and Biochemistry

Share

COinS