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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...
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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2018
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6096452/ https://ncbi.nlm.nih.gov/pubmed/29969552 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b00292 |
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