Abstract
Results of ab initio calculations of potential-energy curves for 20 singlet and 20 triplet valence states of oxygen with configuration interaction taken into account in the 6-31G basis are presented. Transition dipole moments of triplet-triplet (13Πg ← B3Σu−, 13Πg ← A3Σu+, 13Πg ← A′ 3Δu, B3Σ u− ← X3Σg−, 23Πu ← 13Π g, 23Σg− ← B3Σu−, 13Πu ← X3Σg−, 23Πu ← X3Σg−, 23Π g ← A′3Δu, 33Πg ← A′ 3Δ u, 23Δu ← 23Πg, 33Πg ← B3Σ u−, and 23Πg ← A3Σ u+) and singlet-singlet (21Σg+ ← 21Πu, 21Πu ← 11Π g, 1Πu ← 21Δg, 11Πg ← c1Σ u−, 1Πu ← b1Σg+, 11Δ u ← a1Δg, 21Πu ← a1Δg, 21Δg ← 11Δu, 1Π u ← a1Δ g, 11Πu ← b1Σg+, 21Πg ← 11Πu, 21Π g ← c1Σu−, 11Δ u ← 11Π g, f′Σ u+ ← b1Σg+, 21Σg+ ← f ′1Σ u+, 31Πg ← 11Δu) radiative transitions are calculated as functions of internuclear separation. The possibility of observing these transitions under experimental conditions is discussed.
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