Configuration interaction calculations of low-lying electronic states of O2,O2+, and O22+
- 1 March 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 64 (5) , 2080-2093
- https://doi.org/10.1063/1.432433
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.Keywords
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