KSSOLV
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Related Items (38)
Energy-adaptive Riemannian optimization on the Stiefel manifold ⋮ Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost ⋮ Adaptive Quadratically Regularized Newton Method for Riemannian Optimization ⋮ A class of smooth exact penalty function methods for optimization problems with orthogonality constraints ⋮ Preconditioned steepest descent-like methods for symmetric indefinite systems ⋮ Low rank approximation in \(G_0W_0\) calculations ⋮ Locally optimal and heavy ball GMRES methods ⋮ Preconditioned Locally Harmonic Residual Method for Computing Interior Eigenpairs of Certain Classes of Hermitian Matrices ⋮ Trace-penalty minimization for large-scale eigenspace computation ⋮ Numerical solution of the Kohn-Sham equation by finite element methods with an adaptive mesh redistribution technique ⋮ An asymptotic Green's function method for time-dependent Schrödinger equations with application to Kohn-Sham equations ⋮ Maximization of the sum of the trace ratio on the Stiefel manifold. II: computation ⋮ Transportless conjugate gradient for optimization on Stiefel manifold ⋮ A vertex-centered and positivity-preserving scheme for anisotropic diffusion problems on arbitrary polygonal grids ⋮ A New First-Order Algorithmic Framework for Optimization Problems with Orthogonality Constraints ⋮ A multilevel correction adaptive finite element method for Kohn-Sham equation ⋮ An \(h\)-adaptive finite element solver for the calculations of the electronic structures ⋮ KSSOLV 2.0: an efficient Matlab toolbox for solving the Kohn-Sham equations with plane-wave basis set ⋮ Reduced rank extrapolation applied to electronic structure computations ⋮ Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018 ⋮ Projected nonmonotone search methods for optimization with orthogonality constraints ⋮ An asymptotics-based adaptive finite element method for Kohn-Sham equation ⋮ A feasible method for optimization with orthogonality constraints ⋮ Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation ⋮ Numerical integration for ab initio many-electron self energy calculations within the GW approximation ⋮ A perturbation-method-based post-processing for the planewave discretization of Kohn-Sham models ⋮ Two adaptive scaled gradient projection methods for Stiefel manifold constrained optimization ⋮ Split representation of adaptively compressed polarizability operator ⋮ A framework of constraint preserving update schemes for optimization on Stiefel manifold ⋮ Projection-Based Embedding Theory for Solving Kohn--Sham Density Functional Theory ⋮ A Cascadic Adaptive Finite Element Method for Nonlinear Eigenvalue Problems in Quantum Physics ⋮ Parallelizable Algorithms for Optimization Problems with Orthogonality Constraints ⋮ Structured Quasi-Newton Methods for Optimization with Orthogonality Constraints ⋮ Mesh independence of the generalized Davidson algorithm ⋮ On the Analysis of the Discretized Kohn--Sham Density Functional Theory ⋮ Global convergence of Riemannian line search methods with a Zhang-Hager-type condition ⋮ Adaptive Regularized Self-Consistent Field Iteration with Exact Hessian for Electronic Structure Calculation ⋮ A Proximal Gradient Method for Ensemble Density Functional Theory
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