Deformations of density functions in molecular quantum chemistry

DOI10.1063/1.531468zbMATH Open0889.92030OpenAlexW1987391364MaRDI QIDQ5284431FDOQ5284431

Benoît Grébert, Olivier Bokanowski

Publication date: 14 June 1998

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

Full work available at URL: https://doi.org/10.1063/1.531468

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zbMATH Keywords

density functional theorylocal scaling transformation

Mathematics Subject Classification ID

Chemistry (92E99) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• On the eigenfunctions of many-particle systems in quantum mechanics
• A relaxation theorem and its application to the equilibrium of gases
• Variational Methods based on the Density Matrix

Cited In (9)

• Symmetry requirement for a deformation operator related to density functional theory
• Coupling relations between molecular electronic and geometrical degrees of freedom in density functional theory and charge sensitivity analysis
• A Novel Formulation of a Local-Scaling Density Functional Theory
• From atoms to crystals: a mathematical journey
• LOCAL APPROXIMATION FOR THE HARTREE–FOCK EXCHANGE POTENTIAL: A DEFORMATION APPROACH
• New \(N\)-representability results with symmetry in molecular quantum chemistry
• Local Density Approximations for the Energy of a Periodic Coulomb Model
• Optimization approach for the Monge-Ampère equation
• ON THE N-REPRESENTABILITY AND UNIVERSALITY OF F[ρ] IN THE HOHENBERG-KOHN-SHAM VERSION OF DENSITY FUNCTIONAL THEORY

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