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When the Density of the Noninteracting Reference System is not the Density of the Physical System in Density Functional Theory ()
A major challenge in density functional theory (DFT) is the development of density functional approximations (DFAs) to overcome errors in existing DFA, leading to more complex functionals. For such functionals, we consider roles of the noninteracting reference systems. The electron density of the Ko...
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| Publicado no: | Faraday Discuss |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7746600/ https://ncbi.nlm.nih.gov/pubmed/33084699 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0fd00102c |
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