Energy functionals of single-particle densities: A unified view

Density functional theory is usually formulated in terms of the density in configuration space. Functionals of the momentum-space density have also been studied, and yet other densities could be considered. We offer a unified view from a second-quantized perspective and introduce a version of densit...

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Veröffentlicht in:arXiv.org 2022-06
Hauptverfasser: Berthold-Georg Englert, Jun Hao Hue, Zi Chao Huang, Paraniak, Mikołaj M, Martin-Isbjörn Trappe
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Sprache:eng
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Zusammenfassung:Density functional theory is usually formulated in terms of the density in configuration space. Functionals of the momentum-space density have also been studied, and yet other densities could be considered. We offer a unified view from a second-quantized perspective and introduce a version of density functional theory that treats all single-particle contributions to the energy exactly. An appendix deals with semiclassical eigenvalues.
ISSN:2331-8422
DOI:10.48550/arxiv.2206.10097