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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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Detalles Bibliográficos
Autores principales:	Theophilou, Iris, Buchholz, Florian, Eich, F. G., Ruggenthaler, Michael, Rubio, Angel
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
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

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