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...

Descripción completa

Detalles Bibliográficos
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
Descripción
Sumario:[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.