A b i n i t i o calculations on the 3Σg−, 1Σg+, 3Πg, and 1Πg symmetries of S2: Valence, ion pair, and Rydberg states
- 15 November 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (10) , 5174-5181
- https://doi.org/10.1063/1.439944
Abstract
Configuration interaction calculations have been performed for 3Σg−, 1Σg+, 3Πg, and 1Πg states of S2. The lowest diabatic Rydberg state for each symmetry is presented. Spectroscopic parameters for the bound X 3Σg− and b 1Σg+ states and for the Rydberg states are given. Limited test calculations are reported. The implications of these potential curves for the rate of quenching of S(1S) in collision with another S(1S) are discussed.Keywords
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