Local exchange potentials for electronic structure calculations

DOI10.5802/msia.2zbMath1177.47092arXiv0711.1818OpenAlexW1992827630MaRDI QIDQ1020632

Gabriel Stoltz, Gustavo E. Scuseria, Viktor N. Staroverov, Ernest R. Davidson, Eric Cancès

Publication date: 29 May 2009

Published in: MathematicS In Action (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/0711.1818

zbMATH Keywords

nonlinear eigenvalue problemdensity functional theoryHartree-Fock model

Mathematics Subject Classification ID

Nonlinear eigenvalue problems and nonlinear spectral theory for PDEs (35P30) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Nonlinear elliptic equations (35J60) Applications of operator theory in the physical sciences (47N50)

Related Items (2)

\({h-P}\) finite element approximation for full-potential electronic structure calculations ⋮ Mean-field model for the junction of two quasi-1-dimensional quantum Coulomb systems

Cites Work

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• On the convergence of SCF algorithms for the Hartree-Fock equations
• Converging self-consistent field equations in quantum chemistry – recent achievements and remaining challenges
• A Simplification of the Hartree-Fock Method
• New Developments in Molecular Orbital Theory

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