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 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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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. |
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ISSN: | 2331-8422 |
DOI: | 10.48550/arxiv.2206.10097 |