Interionic potentials in alkali halides
- 1 January 1987
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 86 (1) , 313-320
- https://doi.org/10.1063/1.452620
Abstract
Analytic expressions are obtained for the Coulomb and exchange energies in alkali halides, incorporating the correct asymptotic behavior of electron densities. We have also introduced suitable damping factors for the polarizability and van der Waals terms. This allows us to obtain accurate values for the potentials which are found to be conformal.Keywords
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