Theoretical Analysis of the Electronic Structure and Molecular Properties of the Alkali Halides. VI. Rubidium Fluoride and Sodium Bromide
- 15 December 1970
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 53 (12) , 4490-4496
- https://doi.org/10.1063/1.1673978
Abstract
The results of Hartree–Fock calculations in the SCF LCAO MO approximation on sodium bromide and rubidium fluoride are presented giving emphasis to a discussion of modecular properties including quadrupole coupling constants, dissociation energies, molecular force constants, and electronic dipole moments.Keywords
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