HE-HF SCATTERING CROSS-SECTIONS FROM AN AB-INITIO SAPT POTENTIAL - CONFRONTATION WITH EXPERIMENT

Citation
R. Moszynski et al., HE-HF SCATTERING CROSS-SECTIONS FROM AN AB-INITIO SAPT POTENTIAL - CONFRONTATION WITH EXPERIMENT, Chemical physics letters, 263(1-2), 1996, pp. 107-112
Citations number
27
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
263
Issue
1-2
Year of publication
1996
Pages
107 - 112
Database
ISI
SICI code
0009-2614(1996)263:1-2<107:HSCFAA>2.0.ZU;2-A
Abstract
Differential and integral cross sections for elastic and rotationally inelastic He-HF scattering are obtained by means of converged close-co upling calculations from an ab initio potential computed by symmetry-a dapted perturbation theory (SAPT). These results are compared with tot al differential cross sections from crossed-beam time-of-flight measur ements and with state-to-state integral cross sections for the rotatio nal excitation of HF by collisions with He. It is found that the SAPT potential, which was already shown to be accurate in a comparison with the high-resolution infrared spectrum, yields accurate scattering cro ss sections as well. A slight scaling in the anisotropy of the potenti al, which gave better line widths in the spectrum for those levels tha t undergo rotational predissociation, gives a marginal improvement of the rotationally inelastic cross sections.