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We report ab initio calculations on the electronic states of KrF arising from the Kr+F, Kr++F−, and Kr*+F separated atom limits. We conclude, in agreement with earlier assignments, that the observed laser transition is C (1/2) -X (1/2) (5.15 eV calculated, 5.00 eV observed). The calculated lifetime of the C (1/2) state is 6.5 ns. The ionic 2Π state was found to lie close to the ionic 2Σ+ state.
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Dunning et al. (1976) studied this question.
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