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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4606396/ https://www.ncbi.nlm.nih.gov/pubmed/26500460 http://dx.doi.org/10.1021/acs.jctc.5b00675 |