In search of the Hohenberg-Kohn theorem

DOI10.1063/1.5034215MaRDI QIDQ4639366zbMATH OpenOpenAlexFDO

Authors Paul E. Lammert

Publication date 9 May 2018

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

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

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)

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.

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Cited in

(12)

• Hohenberg-Kohn theorems for interactions, spin and temperature
• A mathematical aspect of Hohenberg-Kohn theorem
• Regularity for evolution equations with non-autonomous perturbations in Banach spaces
• Hohenberg-Kohn theorem for Coulomb type systems and its generalization
• Unique continuation for many-body Schrödinger operators and the Hohenberg-Kohn theorem
• A naive look on the Hohenberg-Kohn theorem
• Variational principle, Hohenberg-Kohn theorem, and density function origin shifts
• Theorems on ground-state phase transitions in Kohn-Sham models given by the Coulomb density functional
• Unique continuation for many-body Schrödinger operators and the Hohenberg-Kohn theorem. II: The Pauli Hamiltonian
• Some problems in density functional theory
• On the alleged non-existence of orbitals
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