SCF algorithms for HF electronic calculations
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Cited in
(26)- Local exchange potentials for electronic structure calculations
- A B-spline Hartree-Fock program
- The J-method for the Gross-Pitaevskii eigenvalue problem
- A robust and efficient line search for self-consistent field iterations
- A discontinuous Galerkin scheme for full-potential electronic structure calculations
- Unique solutions to Hartree-Fock equations for closed shell atoms
- Existence of a stable polarized vacuum in the Bogoliubov-Dirac-Fock approximation
- Modeling and computation of Bose-Einstein condensates: stationary states, nucleation, dynamics, stochasticity
- Convergence rates of supercell calculations in the reduced Hartree-Fock model
- Convergence of gradient-based algorithms for the Hartree-Fock equations
- The fractal geometry of Hartree-Fock
- A new Hartree-Fock scheme
- On the analysis of the discretized Kohn-Sham density functional theory
- A proximal gradient method for ensemble density functional theory
- Stochastic algorithms for self-consistent calculations of electronic structures
- An overview of \textit{a posteriori} error estimation and post-processing methods for nonlinear eigenvalue problems
- On the Convergence of Sobolev Gradient Flow for the Gross–Pitaevskii Eigenvalue Problem
- Riemannian Newton methods for energy minimization problems of Kohn-Sham type
- Numerical analysis of multi-patch discontinuous Galerkin isogeometric method for full-potential electronic structure calculations
- Mixed finite elements for the Gross-Pitaevskii eigenvalue problem: \textit{a priori} error analysis and guaranteed lower energy bound
- Riemannian conjugate Sobolev gradients and their application to compute ground states of BECs
- Convergence of a Riemannian gradient method for the Gross-Pitaevskii energy functional in a rotating frame
- Ground state of the time-independent Gross-Pitaevskii equation
- Positivity preserving finite element method for the Gross-Pitaevskii ground state: discrete uniqueness and global convergence
- A gradient flow model for the Gross-Pitaevskii problem: mathematical and numerical analysis
- Spline algorithms for the Hartree-Fock equation for the helium ground state
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