The structure of the density-potential mapping. Part I: Standard density-functional theory
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arXiv
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| Auteurs principaux: | , , , , |
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| Format: | Preprint |
| Publié: |
2022
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| _version_ | 1866910657440382976 |
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| author | Penz, Markus Tellgren, Erik I. Csirik, Mihály A. Ruggenthaler, Michael Laestadius, Andre |
| author_facet | Penz, Markus Tellgren, Erik I. Csirik, Mihály A. Ruggenthaler, Michael Laestadius, Andre |
| contents | The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review aims at clarifying the status of the Hohenberg-Kohn theorem within DFT and Part II at different extensions of the theory that include magnetic fields. We collect evidence that the Hohenberg-Kohn theorem does not so much form the basis of DFT, but is rather the consequence of a more comprehensive mathematical framework. Such results are especially useful when it comes to the construction of generalized DFTs. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2211_16627 |
| institution | arXiv |
| publishDate | 2022 |
| record_format | arxiv |
| spellingShingle | The structure of the density-potential mapping. Part I: Standard density-functional theory Penz, Markus Tellgren, Erik I. Csirik, Mihály A. Ruggenthaler, Michael Laestadius, Andre Chemical Physics Quantum Physics The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review aims at clarifying the status of the Hohenberg-Kohn theorem within DFT and Part II at different extensions of the theory that include magnetic fields. We collect evidence that the Hohenberg-Kohn theorem does not so much form the basis of DFT, but is rather the consequence of a more comprehensive mathematical framework. Such results are especially useful when it comes to the construction of generalized DFTs. |
| title | The structure of the density-potential mapping. Part I: Standard density-functional theory |
| topic | Chemical Physics Quantum Physics |
| url | https://arxiv.org/abs/2211.16627 |