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Abstract
By using the symmetry adapted cluster-configuration interaction (SAC-CI) method with the basis set aug-cc-pVTZ, structures of ground state ( 1Σ +) and low-lying excited states ( 3П, 3Σ +, 1П, 1Σ −, 1Δ) of radical anion OH − were derived. The dissociation limits of these states were determined. The potential energy functions of the X 1Σ +, a 3П, 1П and 1Δ states for OH − were deduced in the form of Murrell–Sorbie (M–S) potential energy function, and then their force constants and spectroscopic constants were calculated, which consisted with the experimental data.
Published Version
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