Configuration interaction calculations of low-lying electronic states of O2,O2+, and O22+

Abstract

Minimal basis full valence CI calculations of potential curves are reported for more than 300 low-lying states of O2, O+2, and O2+2. A large number of new bound states of O+2 and some metastable states of O2+2 are predicted, and from a comparison with known states of O2 and O+2, predictions are made for the spectroscopic constants of the as yet experimentally unknown states.