Theoretical Study of Several Electronic States of the Hydrogen Fluoride Molecule
- 1 December 1968
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 49 (11), 4989-4995
- https://doi.org/10.1063/1.1669989
Abstract
The low‐lying electronic states of the hydrogen fluoride molecule have been investigated using extensive configuration interaction with a limited basis set. Potential curves, dipole moments, and oscillator strengths are given for selected states. In agreement with experiment, the results indicate that it would be difficult to observe any discrete absorption spectrum for HF. The dipole moment of the ground state behaves very differently from the SCF result.Keywords
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