Pages that link to "Item:Q2508902"

The following pages link to A constrained optimization algorithm for total energy minimization in electronic structure calculations (Q2508902):

Displaying 31 items.

• A feasible method for optimization with orthogonality constraints (Q101635) (← links)
• Inexact restoration method for minimization problems arising in electronic structure calculations (Q409270) (← links)
• Minimizing the Kohn-Sham total energy for periodic systems (Q413524) (← links)
• Damped gradient iteration and multigrid relaxation: tools for electronic structure calculations using orbital density-functionals (Q703459) (← links)
• A spectral scheme for Kohn-Sham density functional theory of clusters (Q729158) (← links)
• A framework of constraint preserving update schemes for optimization on Stiefel manifold (Q747775) (← links)
• The reduced basis method in all-electron calculations with finite elements (Q904237) (← links)
• Solving constrained optimization problems using a novel genetic algorithm (Q1004192) (← links)
• Unconstrained energy functionals for electronic structure calculations (Q1284561) (← links)
• Optimization techniques in energy calculations involving the Hartree-Fock density matrix (Q1321298) (← links)
• Fast solution of Schrödinger's equation using linear combinations of plane waves (Q1672700) (← links)
• Projected nonmonotone search methods for optimization with orthogonality constraints (Q1993600) (← links)
• An alternate gradient method for optimization problems with orthogonality constraints (Q2062445) (← links)
• Direct minimization for ensemble electronic structure calculations (Q2398481) (← links)
• On the computation of large-scale self-consistent-field iterations (Q2399216) (← links)
• Accelerated block preconditioned gradient method for large scale wave functions calculations in density functional theory (Q2655696) (← links)
• KSSOLV 2.0: an efficient Matlab toolbox for solving the Kohn-Sham equations with plane-wave basis set (Q2700744) (← links)
• Gradient type optimization methods for electronic structure calculations (Q2878974) (← links)
• Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure (Q3572305) (← links)
• A New First-Order Algorithmic Framework for Optimization Problems with Orthogonality Constraints (Q4603042) (← links)
• A non-monotone linear search algorithm with mixed direction on Stiefel manifold (Q4622892) (← links)
• Energy-adaptive Riemannian optimization on the Stiefel manifold (Q5038945) (← links)
• A class of smooth exact penalty function methods for optimization problems with orthogonality constraints (Q5058369) (← links)
• Stochastic consensus dynamics for nonconvex optimization on the Stiefel manifold: Mean-field limit and convergence (Q5074805) (← links)
• Numerical methods for Kohn–Sham density functional theory (Q5230523) (← links)
• Parallelizable Algorithms for Optimization Problems with Orthogonality Constraints (Q5230625) (← links)
• A Riemannian Newton Algorithm for Nonlinear Eigenvalue Problems (Q5256538) (← links)
• A Proximal Gradient Method for Ensemble Density Functional Theory (Q5502093) (← links)
• Stochastic algorithms for self-consistent calculations of electronic structures (Q5886872) (← links)
• A Linearized Structure-Preserving Numerical Scheme for a Gradient Flow Model of the KohnSham Density Functional Theory (Q6110105) (← links)
• Riemannian Newton methods for energy minimization problems of Kohn-Sham type (Q6608077) (← links)