An <i>ab initio</i> study of the excited states of OH⁺

Abstract

Potential curves have been calculated by the ab initio MRD CI method for states of OH+ correlating with O(3 P, 1 D, 1 S) + H+ and O+(4 S, 2 D, 2 P) + H. Spectroscopic constants derived from the calculated potential curves are in good agreement with the available experimental data. The calculations support the experimental assignment of vibrational quantum numbers for levels perturbing the A 3Π state.