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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 41, 1980 - Issue 6
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Original Articles

Excited states of HCl

An ab initio configuration interaction investigation

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Pages 1483-1491 | Received 29 Jul 1980, Published online: 22 Aug 2006
 

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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