Riemannian Newton methods for energy minimization problems of Kohn-Sham type
From MaRDI portal
(Redirected from Publication:6608077)
Riemannian Newton methods for energy minimization problems of Kohn-Sham type (scientific article; zbMATH DE number 7915955)
Riemannian Newton methods for energy minimization problems of Kohn-Sham type (scientific article; zbMATH DE number 7915955)
Recommendations
- Energy-adaptive Riemannian optimization on the Stiefel manifold
- A Riemannian Newton algorithm for nonlinear eigenvalue problems
- Computation of ground states of the Gross-Pitaevskii functional via Riemannian optimization
- A matrix-free implementation of Riemannian Newton's method on the Stiefel manifold
- Adaptive quadratically regularized Newton method for Riemannian optimization
Cites work
- A constrained optimization algorithm for total energy minimization in electronic structure calculations
- A Linearized Structure-Preserving Numerical Scheme for a Gradient Flow Model of the KohnSham Density Functional Theory
- A minimisation approach for computing the ground state of Gross-Pitaevskii systems
- A Riemannian Newton algorithm for nonlinear eigenvalue problems
- A rigorous derivation of the Gross-Pitaevskii energy functional for a two-dimensional Bose gas
- Adjustment of an Inverse Matrix Corresponding to a Change in One Element of a Given Matrix
- Cholesky QR-based retraction on the generalized Stiefel manifold
- Computation of ground states of the Gross-Pitaevskii functional via Riemannian optimization
- Computational chemistry from the perspective of numerical analysis
- Computing the Ground State Solution of Bose--Einstein Condensates by a Normalized Gradient Flow
- Convergence analysis of direct minimization and self-consistent iterations
- Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure
- Efficient and spectrally accurate numerical methods for computing ground and first excited states in Bose-Einstein condensates
- Energy minimization related to the nonlinear Schrödinger equation
- Energy-adaptive Riemannian optimization on the Stiefel manifold
- Exponential convergence of Sobolev gradient descent for a class of nonlinear eigenproblems
- Gradient flow based Kohn-Sham density functional theory model
- Ground state of the time-independent Gross-Pitaevskii equation
- Ground-state solution of Bose--Einstein condensate by directly minimizing the energy functional
- scientific article; zbMATH DE number 4011016 (Why is no real title available?)
- scientific article; zbMATH DE number 1735946 (Why is no real title available?)
- scientific article; zbMATH DE number 5223994 (Why is no real title available?)
- scientific article; zbMATH DE number 2214428 (Why is no real title available?)
- Implicit algorithms for eigenvector nonlinearities
- KSSOLV -- a MATLAB toolbox for solving the Kohn-Sham equations
- KSSOLV 2.0: an efficient Matlab toolbox for solving the Kohn-Sham equations with plane-wave basis set
- Localization and Delocalization of Ground States of Bose--Einstein Condensates Under Disorder
- Localized computation of eigenstates of random Schrödinger operators
- Minimizing the Gross-Pitaevskii energy functional with the Sobolev gradient -- analytical and numerical results
- New Developments in Molecular Orbital Theory
- Newton--Noda Iteration for Computing the Ground States of Nonlinear Schrödinger Equations
- Numerical analysis of nonlinear eigenvalue problems
- Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models
- On discrete ground states of rotating Bose-Einstein condensates
- On the analysis of the discretized Kohn-Sham density functional theory
- On the convergence of SCF algorithms for the Hartree-Fock equations
- On the Convergence of Sobolev Gradient Flow for the Gross–Pitaevskii Eigenvalue Problem
- Optimizing Schrödinger functionals using Sobolev gradients: Applications to quantum mechanics and nonlinear optics
- Preconditioned gradient flows for nonlinear eigenvalue problems and application to the Hartree-Fock functional
- Projection-like retractions on matrix manifolds
- Quantitative Anderson localization of Schrödinger eigenstates under disorder potentials
- Sharp estimation of convergence rate for self-consistent field iteration to solve eigenvector-dependent nonlinear eigenvalue problems
- Sobolev gradient flow for the Gross-Pitaevskii eigenvalue problem: global convergence and computational efficiency
- The J-method for the Gross-Pitaevskii eigenvalue problem
- The dependency of spectral gaps on the convergence of the inverse iteration for a nonlinear eigenvector problem
- The Geometry of Algorithms with Orthogonality Constraints
- Toward the optimal preconditioned eigensolver: Locally optimal block preconditioned conjugate gradient method
Cited in
(8)- A scalable two-level domain decomposition eigensolver for periodic Schrödinger eigenstates in anisotropically expanding domains
- Riemannian conjugate Sobolev gradients and their application to compute ground states of BECs
- The Gross-Pitaevskii equation and eigenvector nonlinearities: numerical methods and algorithms
- Convergence of a Riemannian gradient method for the Gross-Pitaevskii energy functional in a rotating frame
- Super-localised wave function approximation of Bose-Einstein condensates
- Neural network acceleration of iterative methods for nonlinear Schrödinger eigenvalue problems
- Positivity preserving finite element method for the Gross-Pitaevskii ground state: discrete uniqueness and global convergence
- Riemannian optimization methods for ground states of multicomponent Bose-Einstein condensates
This page was built for publication: Riemannian Newton methods for energy minimization problems of Kohn-Sham type
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q6608077)
