ROTATIONALLY INELASTIC AND BOUND-STATE DYNAMICS OF H-2-OH(X(2)PI)

Citation
Sm. Miller et al., ROTATIONALLY INELASTIC AND BOUND-STATE DYNAMICS OF H-2-OH(X(2)PI), Molecular physics, 83(3), 1994, pp. 405-428
Citations number
65
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
83
Issue
3
Year of publication
1994
Pages
405 - 428
Database
ISI
SICI code
0026-8976(1994)83:3<405:RIABDO>2.0.ZU;2-L
Abstract
Rotationally inelastic scattering cross-sections and van der Waals rov ibrational spectra of the H-2-OH system are calculated using two ab in itio potential surfaces. The scattering calculations give similar resu lts when both ab initio potentials are used, and show quite good agree ment with available experimental data. The van der Waals bound states and rovibrational spectra show interesting similarities and difference s when compared with the related and well studied Ar-OH and H-2-HF sys tems. Aspects of the spectra calculated using two ab initio potentials show marked differences, and suggest that experimental studies of the far infrared or near infrared spectra of H-2-OH will be worthwhile.