Excited states of HCl |
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| Authors: | David M. Hirst Martyn F. Guest |
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| Affiliation: | 1. Department of Chemistry and Molecular Sciences , University of Warwick , Coventry , CV4 7AL , England;2. Science Research Council, Daresbury Laboratory , Daresbury , Warrington , WA4 4AD , England |
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| Abstract: | ![]()
Ab initio CI calculations are presented for potential curves for the valence states of HCl, for the vertical electronic spectrum and for the potential curve for the B 1Σ+ state. The valence 1Π, 3Π and 3Σ+ states are found to be repulsive. Calculated vertical excitation energies are in good agreement with experiment. The B 1Σ+ curve is predicted to have a double minimum. |
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