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How Close Are the Slater and Becke–Roussel Potentials in Solids?
[Image: see text] The Becke–Roussel (BR) potential [Phys. Rev. A1989, 39, 3761] was proposed as an approximation to the Slater potential, which is the Coulomb potential generated by the exact exchange hole. In the present work, a detailed comparison between the Slater and BR potentials in solids is...
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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2015
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4606396/ https://ncbi.nlm.nih.gov/pubmed/26500460 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00675 |
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