Publication
The Journal of Chemical Physics
Paper

Ab initio configuration interaction study of the Rydberg states of O 2. II. Calculations on the 3Σg-, 3Σu-, 3Π g,1Πg, and 1Σ g+ symmetries

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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.

Date

14 Jul 2008

Publication

The Journal of Chemical Physics

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