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arXiv · 2211.16627

The structure of the density-potential mapping. Part I: Standard density-functional theory

Markus Penz·Erik I. Tellgren·Mihály A. Csirik·Michael Ruggenthaler·Andre Laestadius
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Abstract

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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Markus Penz, Erik I. Tellgren, Mihály A. Csirik, Michael Ruggenthaler, Andre Laestadius. 2022-11-29. The structure of the density-potential mapping. Part I: Standard density-functional theory. https://doi.org/10.1021/acsphyschemau.2c00069

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