Ab initio calculations on the ³Σ_g^-, ¹Σ_g⁺, ³Π_g, and ¹Π_g symmetries of S₂: Valence, ion pair, and Rydberg states

Abstract

Configuration interaction calculations have been performed for 3Σg-, 1Σ g+, 3Πg, and 'Π g states of S2. The lowest diabatic Rydberg state for each symmetry is presented. Spectroscopic parameters for the bound X 3Σg- and b 1Σ g+ 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. © 1980 American Institute of Physics.