A theoretical analysis of the state-specific decomposition of OH(Athinsp{sup 2}{Sigma}{sup +},v{sup {prime}},N{sup {prime}},F{sub 1}/F{sub 2}) levels, including the effects of spin{endash}orbit and Coriolis interactions
- Laboratoire Structure et Dynamique des Systemes Moleculaires et Solides (UMR 5636), CC 014, Universite Montpellier II, 34095 Montpellier Cedex 5 (France)
- Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218 (United States)
The state-specific decomposition OH(Athinsp{sup 2}{Sigma}{sup +},v{sup {prime}},N{sup {prime}},F{sub 1}/F{sub 2}){r_arrow}O({sup 3}P{sub J})+H({sup 2}S) is investigated using multichannel scattering theory based on potential energy curves, spin{endash}orbit couplings, and Coriolis couplings, obtained from multireference configuration interaction wave functions. The fine-structure branching fractions of the O({sup 3}P{sub J}) fragment are determined and compared with the results of frequently used approximate models. The predissociation rates of the individual OH(Athinsp{sup 2}{Sigma}{sup +},v{sup {prime}},N{sup {prime}},F{sub 1}/F{sub 2}) levels are also computed and compared with the results of recent experiments. {copyright} {ital 1999 American Institute of Physics.}
- OSTI ID:
- 289236
- Journal Information:
- Journal of Chemical Physics, Vol. 110, Issue 1; Other Information: PBD: Jan 1999
- Country of Publication:
- United States
- Language:
- English
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