Abstract

A correlation diagram for the first three doublet and lowest quartet electronic states of H 2S + (vertical and intermediate regions as well as dissociation products) is given on the basis of ab initio MRD—CI calculations. Deficiencies are apparent in a previous diagram, where an avoided crossing between two 2 A′ states and the essential participation of a 4 B 1 (vertical region) state were not taken into account. The correlation scheme reported is in agreement with experimental results and resolves the queries recently raised by Eland in this journal (31 (1979) 161).

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