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Ab initio configuration interaction study of the X3ϵ−, a1Δ and b1ϵ+ states of so and S2

✍ Scribed by Giannoula Theodorakopoulos; S.D Peyerimhoff; Robert J Buenker

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
573 KB
Volume
81
Category
Article
ISSN
0009-2614

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✦ Synopsis

Large scale configuration interaction calculations with AO basis sets including f-type species are employed to study the properties of the three 7r 2 states, X 3 Z-, a 1 A and b 1 N + of $2 and SO. The calculations confirm the b 1 l~ +-X 3 N-tran-1 + 3 sition energy of SO as well as the measured To results of Barnes et al. for the b Xg-X l~g transitions in $2 and SO respectively, but suggest that their measured a 1 hg--X 3 ~g band in S 2 corresponds to a transition to a vibrationally excited state.

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