Ground and low-lying excited states of BN+and BN-obtained by configuration-interaction methods
- 20 October 1985
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 56 (3) , 641-652
- https://doi.org/10.1080/00268978500102581
Abstract
Using a 5s3p contracted gaussian basis set with polarization functions, potential curves for twelve low-lying valence states of BN+, and for three states of BN-, were obtained by the MRD-CI method. The ground state of BN+ is 4∑-. Spectroscopic constants for all but one excited state are given, and are compared with those of BC and C+ 2. The ground state of BN- is 2∑+. From the obtained energies, ionization potentials and electron affinities for BN are predicted.Keywords
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