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Kinetic-Energy Density-Functional Theory on a Lattice
[Image: see text] We present a kinetic-energy density-functional theory and the corresponding kinetic-energy Kohn–Sham (keKS) scheme on a lattice and show that, by including more observables explicitly in a density-functional approach, already simple approximation strategies lead to very accurate re...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6096452/ https://www.ncbi.nlm.nih.gov/pubmed/29969552 http://dx.doi.org/10.1021/acs.jctc.8b00292 |