Ab initio configuration interaction study of the Rydberg states of O2. II. Calculations on the 3Σg−, 3Σu−, 3Πg, 1Πg, and 1Σg+ symmetries

Autor:	Roberta P. Saxon, B. Liu
Rok vydání:	1980
Předmět:	Electronic correlation Chemistry Diabatic General Physics and Astronomy Configuration interaction Molecular physics symbols.namesake Rydberg constant Excited state Rydberg atom Rydberg formula symbols Physics::Atomic Physics Physical and Theoretical Chemistry Rydberg state Atomic physics
Zdroj:	The Journal of Chemical Physics. 73:876-880
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.440195
Popis:	Using the computational procedure established in the previous paper, configuration interaction calculations have been performed for the 3Σg−, 3Σu−, 3Πg, 1Πg, 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.
Databáze:	OpenAIRE
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