Ab initio configuration interaction study of the Rydberg states of O ₂. II. Calculations on the ³Σ_g^-, ³Σ_u^-, ³Π _g,¹Π_g, and ¹Σ _g⁺ symmetries

Abstract

Using the computational procedure established in the previous paper, configuration interaction calculations have been performed for the 3Σg-, 3Σ u-, 3Πg, 1Π g, and 1Σg+ symmetries of O2. The lowest diabatic Rydberg state for each symmetry is presented. Vibrational energy levels of the 1Πg Rydberg state are given. The extent of Rydberg-valence interaction is discussed and the 3Σu-,- state is compared with a previous calculation. © 1980 American Institute of Physics.