Abstract
Exact quantum calculations for scattering of HF by Ar, fully averaged over experimental parameters, are compared to rotationally resolved differential cross section measurements. This comparison discriminates between potential energy surfaces recently obtained from high- resolution spectroscopic measurements. Further calculations using the best of these potential energy surfaces are then performed at the level of state-to-state differential cross sections. In addition to structures that are already familiar from attractive atom + atom scattering and repulsive rotationally inelastic scattering, novel features are revealed and shown to depend on the balance between repulsive and attractive anisotropies. This balancing act is most evident in the j=0→j′=0 and the j=0→j′=1 transi- tions, which are also predicted to show unexpected and previously unobserved isotope effects of a purely quantal origin.
Original language | English |
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Pages (from-to) | 291-296 |
Number of pages | 6 |
Journal | Chemical Physics Letters |
Volume | 202 |
Issue number | 3-4 |
DOIs | |
State | Published - 22 Jan 1993 |
Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry