Deformations of density functions in molecular quantum chemistry

DOI10.1063/1.531468zbMath0889.92030OpenAlexW1987391364MaRDI QIDQ5284431

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)

Related Items

LOCAL APPROXIMATION FOR THE HARTREE–FOCK EXCHANGE POTENTIAL: A DEFORMATION APPROACH, Symmetry requirement for a deformation operator related to density functional theory, Local Density Approximations for the Energy of a Periodic Coulomb Model, From atoms to crystals: a mathematical journey, ON THE N-REPRESENTABILITY AND UNIVERSALITY OF F[ρ IN THE HOHENBERG-KOHN-SHAM VERSION OF DENSITY FUNCTIONAL THEORY], Optimization approach for the Monge-Ampère equation

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