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The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory

[Image: see text] 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 Hohenbe...

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Autores principales: Penz, Markus, Tellgren, Erik I., Csirik, Mihály A., Ruggenthaler, Michael, Laestadius, Andre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10375883/
https://www.ncbi.nlm.nih.gov/pubmed/37520314
http://dx.doi.org/10.1021/acsphyschemau.2c00069
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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
author_sort Penz, Markus
collection PubMed
description [Image: see text] 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.
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spelling pubmed-103758832023-07-29 The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory Penz, Markus Tellgren, Erik I. Csirik, Mihály A. Ruggenthaler, Michael Laestadius, Andre ACS Phys Chem Au [Image: see text] 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. American Chemical Society 2023-03-30 /pmc/articles/PMC10375883/ /pubmed/37520314 http://dx.doi.org/10.1021/acsphyschemau.2c00069 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Penz, Markus
Tellgren, Erik I.
Csirik, Mihály A.
Ruggenthaler, Michael
Laestadius, Andre
The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory
title The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory
title_full The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory
title_fullStr The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory
title_full_unstemmed The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory
title_short The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory
title_sort structure of density-potential mapping. part i: standard density-functional theory
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10375883/
https://www.ncbi.nlm.nih.gov/pubmed/37520314
http://dx.doi.org/10.1021/acsphyschemau.2c00069
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