Physical Sciences and Mathematics Commons^™

Rotationally Inelastic Molecular Scattering. Computational Tests Of Some Simple Solutions Of The Strong Coupling Problem, Thomas P. Tsien, Gregory A. Parker, Russell T. Pack

Faculty Publications

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.