A calculation of the potential curves for the halogen molecule negative ions
- 1 December 1976
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 32 (6) , 1651-1660
- https://doi.org/10.1080/00268977600102971
Abstract
A valence bond, pseudopotential calculation is presented for the ground and low-lying excited electronic states of Cl2 -, Br2 -, I2 -, ClBr-, ClI-, and BrI-. The results have been used to calculate equilibrium bond lengths, dissociation energies, vibrational frequencies and electronic transition energies and these have been compared with the experimental data on Vk centres in ionic crystals.Keywords
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