scientific article; zbMATH DE number 1735946

zbMATH Open0992.81103MaRDI QIDQ4329313FDOQ4329313

Authors: É. Cancès 

Publication date: 29 April 2002

Title of this publication is not available (Why is that?)

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zbMATH Keywords

numerical simulationsoptimal damping algorithmHartree-Fock problemlevel-shifting algorithmRoothaan algorithm

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55) Software, source code, etc. for problems pertaining to quantum theory (81-04)

Cited In (20)

• A discontinuous Galerkin scheme for full-potential electronic structure calculations
• On the analysis of the discretized Kohn-Sham density functional theory
• Convergence of gradient-based algorithms for the Hartree-Fock equations
• The \(J\)-method for the Gross-Pitaevskii eigenvalue problem
• The fractal geometry of Hartree-Fock
• A robust and efficient line search for self-consistent field iterations
• Riemannian Newton methods for energy minimization problems of Kohn-Sham type
• Modeling and computation of Bose-Einstein condensates: stationary states, nucleation, dynamics, stochasticity
• Convergence rates of supercell calculations in the reduced Hartree-Fock model
• Local exchange potentials for electronic structure calculations
• Stochastic algorithms for self-consistent calculations of electronic structures
• Spline algorithms for the Hartree-Fock equation for the helium ground state
• A proximal gradient method for ensemble density functional theory
• An overview of \textit{a posteriori} error estimation and post-processing methods for nonlinear eigenvalue problems
• Ground state of the time-independent Gross-Pitaevskii equation
• Unique solutions to Hartree-Fock equations for closed shell atoms
• On the Convergence of Sobolev Gradient Flow for the Gross–Pitaevskii Eigenvalue Problem
• Existence of a stable polarized vacuum in the Bogoliubov-Dirac-Fock approximation
• A B-spline Hartree-Fock program
• A new Hartree-Fock scheme

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