In search of the Hohenberg-Kohn theorem

DOI10.1063/1.5034215zbMATH Open1386.81157arXiv1412.3876OpenAlexW2963810055MaRDI QIDQ4639366FDOQ4639366

Paul E. Lammert

Publication date: 9 May 2018

Published in: Journal of Mathematical Physics (Search for Journal in Brave)

Abstract: The Hohenberg-Kohn theorem, a cornerstone of electronic density functional theory, concerns uniqueness of external potentials yielding given ground densities of an $mathcalN$-body system. The problem is rigorously explored in a universe of three-dimensional Kato-class potentials, with emphasis on trade-offs between conditions on the density and conditions on the potential sufficient to ensure uniqueness. Sufficient conditions range from none on potentials coupled with everywhere strict positivity of the density, to none on the density coupled with something a little weaker than local $3mathcalN/2$-power integrability of the potential on a connected full-measure set. A second theme is localizability, that is, the possibility of uniqueness over subsets of ${mathbbR}^3$ under less stringent conditions.

Full work available at URL: https://arxiv.org/abs/1412.3876

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zbMATH Keywords

density functional

Mathematics Subject Classification ID

Applications of functional analysis in quantum physics (46N50) (n)-body problems (70F10) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Many-body theory; quantum Hall effect (81V70)

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Cited In (7)

• A naive look on the Hohenberg-Kohn theorem
• Unique continuation for many-body Schrödinger operators and the Hohenberg-Kohn theorem. II: The Pauli Hamiltonian
• Unique continuation for many-body Schrödinger operators and the Hohenberg-Kohn theorem
• Regularity for evolution equations with non-autonomous perturbations in Banach spaces
• On the alleged non-existence of orbitals
• Some problems in density functional theory
• ON THE N-REPRESENTABILITY AND UNIVERSALITY OF F[ρ] IN THE HOHENBERG-KOHN-SHAM VERSION OF DENSITY FUNCTIONAL THEORY

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