Deformations of density functions in molecular quantum chemistry

DOI10.1063/1.531468MaRDI QIDQ5284431zbMATH OpenOpenAlexFDO

Authors Olivier Bokanowski, Benoît Grébert

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

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)

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Cites work

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

Cited in

(10)

• Optimization approach for the Monge-Ampère equation
• LOCAL APPROXIMATION FOR THE HARTREE–FOCK EXCHANGE POTENTIAL: A DEFORMATION APPROACH
• On density function coordinate matrix
• A Novel Formulation of a Local-Scaling Density Functional Theory
• New \(N\)-representability results with symmetry in molecular quantum chemistry
• Local Density Approximations for the Energy of a Periodic Coulomb Model
• From atoms to crystals: a mathematical journey
• 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
• ON THE N-REPRESENTABILITY AND UNIVERSALITY OF F[ρ] IN THE HOHENBERG-KOHN-SHAM VERSION OF DENSITY FUNCTIONAL THEORY

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