Ab initio configuration interaction stud
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Giannoula Theodorakopoulos; S.D Peyerimhoff; Robert J Buenker
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Article
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1981
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Elsevier Science
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English
โ 573 KB
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