A Periodic Density Functional Theory and Hartree−Fock Study of Alkali Halides with Gaussian Orbitals
Author:
Affiliation:
1. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P.O. Box 999, MS K1-83, Richland, Washington 99352-0999
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp981431v
Reference40 articles.
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2. Density Functional Methods in Chemistry
3. On the elastic properties of lithium, sodium and potassium oxide. An ab initio study
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