Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1785079135342690304 |
---|---|
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. |
format | Online Article Text |
id | pubmed-10375883 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT penzmarkus thestructureofdensitypotentialmappingpartistandarddensityfunctionaltheory AT tellgreneriki thestructureofdensitypotentialmappingpartistandarddensityfunctionaltheory AT csirikmihalya thestructureofdensitypotentialmappingpartistandarddensityfunctionaltheory AT ruggenthalermichael thestructureofdensitypotentialmappingpartistandarddensityfunctionaltheory AT laestadiusandre thestructureofdensitypotentialmappingpartistandarddensityfunctionaltheory AT penzmarkus structureofdensitypotentialmappingpartistandarddensityfunctionaltheory AT tellgreneriki structureofdensitypotentialmappingpartistandarddensityfunctionaltheory AT csirikmihalya structureofdensitypotentialmappingpartistandarddensityfunctionaltheory AT ruggenthalermichael structureofdensitypotentialmappingpartistandarddensityfunctionaltheory AT laestadiusandre structureofdensitypotentialmappingpartistandarddensityfunctionaltheory |