1. Rydberg, valence, and ion-pair quintet states of O2.
- Author
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Lefebvre-Brion, H., Liebermann, H. P., Amero, J. M., and Vázquez, G. J.
- Subjects
RYDBERG states ,ION pairs ,VALENCE (Chemistry) ,ELECTRONIC excitation ,POTENTIAL energy - Abstract
We report an ab initio study of the quintet states of molecular oxygen. The calculations are carried out employing the multireference single and double excitation configuration interaction package. Potential energy curves of the six quintet valence states dissociating into ground state atoms and of the four quintet states dissociating to ion-pair atoms were computed. A number of bound quintet Rydberg series converging to the a
4 Πu and b4 Σ- g states of the O2 + cation have been identified. [ABSTRACT FROM AUTHOR]- Published
- 2016
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