Abstract
Restricted Active Space (RAS) SCF calculations have been performed of the potential curves for theX3Σ− andA3Π states of the OH+ ion and on the lifetime of thev=0−2 vibrational levels of theA state. The convergence of the transition moment integral as a function of the size of the active orbital space was used to select the active orbitals. The calculated value of thev=0 lifetime is 2.4 µs. An estimate of the errors remaining in the calculation leads to a final theoretical value of 2.7±0.1 µs. Computed bond distances and bond energies are 1.031 (1.029) A and 5.05 (5.01) eV, respectively, for theX state, and 1.137 (1.135) A and 1.57 eV, respectively, for theA state (experimental values within parenthesis).
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