Journal of Chemical Physics, Vol.110, No.1, 363-376, 1999
A theoretical analysis of the state-specific decomposition of OH(A (2)Sigma(+), v ', N ', F-1/F-2) levels, including the effects of spin-orbit and Coriolis interactions
The state-specific decomposition OH(A (2)Sigma(+),upsilon',N',F-1/F-2)-->O(P-3(J))+H(S-2) is investigated using multichannel scattering theory based on potential energy curves, spin-orbit couplings, and Coriolis couplings, obtained from multireference configuration interaction wave functions. The fine-structure branching fractions of the O(P-3(J)) fragment are determined and compared with the results of frequently used approximate models. The predissociation rates of the individual OH(A (2)Sigma(+),upsilon',N',F-1/F-2) levels are also computed and compared with the results of recent experiments.
Keywords:LASER-INDUCED FLUORESCENCE;ASYMMETRIC RESONANCES;PHOTO-DISSOCIATION;PREDISSOCIATION RATES;SELECTIVE PRODUCTION;TRIATOMIC-MOLECULES;A2-SIGMA+ STATE;PHOTODISSOCIATION;DYNAMICS;DEPENDENCE