Improved Lieb-Oxford bound on the indirect and exchange energies

DOI10.1007/s11005-022-01584-5zbMath1497.82002arXiv2203.12473OpenAlexW4283448847WikidataQ114224859 ScholiaQ114224859MaRDI QIDQ2079259

Mathieu Lewin, Robert Seiringer, Elliott H. Lieb

Publication date: 29 September 2022

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

Full work available at URL: https://arxiv.org/abs/2203.12473

zbMATH Keywords

density functional theoryexchange energyindirect energyLieb-Oxford inequality

Mathematics Subject Classification ID

Classical equilibrium statistical mechanics (general) (82B05) Parallel numerical computation (65Y05) Computational density functional analysis in statistical mechanics (82M36)

Uses Software

• GitHub
• optimParallel

Cites Work

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• Computational Optimal Transport: With Applications to Data Science
• Logarithmic, Coulomb and Riesz energy of point processes
• The crystallization conjecture: a review
• Density functional theory. An advanced course.
• The thermodynamic limit for jellium
• Continuity and estimates for multimarginal optimal transportation problems with singular costs
• Large deviation principle for empirical fields of log and Riesz gases
• Next-order asymptotic expansion for \(N\)-marginal optimal transport with Coulomb and Riesz costs
• The Lieb-Oxford lower bounds on the Coulomb energy, their importance to electron density functional theory, and a conjectured tight bound on exchange
• The Lieb-Oxford bound and the optimal transport limit of DFT
• The local density approximation in density functional theory
• Optimal transport for applied mathematicians. Calculus of variations, PDEs, and modeling
• Renormalized energy concentration in random matrices
• Determinantal random point fields
• Duality theorems for marginal problems
• Optimal transport with Coulomb cost. Approximation and duality
• The Stability of Matter in Quantum Mechanics
• Statistical mechanics of the uniform electron gas
• 9. Optimal transportation theory with repulsive costs
• Coulomb and Riesz gases: The known and the unknown
• Optimal Transport

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