A finite element recovery approach to eigenvalue approximations with applications to electronic structure calculations

DOI10.1007/S10915-012-9640-5zbMATH Open1272.65086OpenAlexW1995100922MaRDI QIDQ356769FDOQ356769

Authors: Jun Fang, Xingyu Gao, Aihui Zhou 

Publication date: 26 July 2013

Published in: Journal of Scientific Computing (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10915-012-9640-5

Recommendations

• A Defect Correction Scheme for Finite Element Eigenvalues with Applications to Quantum Chemistry
• Finite volume discretizations for eigenvalue problems with applications to electronic structure calculations
• The local and parallel finite element scheme for electric structure eigenvalue problems
• Interpolation based local postprocessing for adaptive finite element approximations in electronic structure calculations
• scientific article; zbMATH DE number 4066258

zbMATH Keywords

numerical exampleslower boundelliptic eigenvalue problemKohn-Sham equationeigenpair recoverygradient averaginghanging nodehexahedral finite element

Mathematics Subject Classification ID

Estimates of eigenvalues in context of PDEs (35P15) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30)

Cites Work

• Elliptic partial differential equations of second order
• Title not available (Why is that?)
• Title not available (Why is that?)
• Title not available (Why is that?)
• Nonconforming finite element methods for eigenvalue problems in linear plate theory
• Title not available (Why is that?)
• deal.II—A general-purpose object-oriented finite element library
• Finite Element-Galerkin Approximation of the Eigenvalues and Eigenvectors of Selfadjoint Problems
• Enhancing Eigenvalue Approximation by Gradient Recovery
• A two-grid discretization scheme for eigenvalue problems
• Non-periodic finite-element formulation of Kohn-Sham density functional theory
• A Defect Correction Scheme for Finite Element Eigenvalues with Applications to Quantum Chemistry
• Three-scale finite element eigenvalue discretizations
• Electronic Structure
• Title not available (Why is that?)
• Three-Scale Finite Element Discretizations for Quantum Eigenvalue Problems
• A local computational scheme for higher order finite element value approximation
• Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
• Asymptotic lower bounds for eigenvalues by nonconforming finite element methods
• Eigenvalue approximation from below using non-conforming finite elements
• Title not available (Why is that?)
• Schrödinger operators in the twentieth century
• Interpolation based local postprocessing for adaptive finite element approximations in electronic structure calculations
• Title not available (Why is that?)
• Finite element approximations for Schrödinger equations with applications to electronic structure computations
• Title not available (Why is that?)
• A note on the preconditioned Gauss--Seidel (GS) method for linear systems
• On the vibrations of a clamped plate under tension
• Finite element approach for density functional theory calculations on locally-refined meshes

Cited In (7)

• Interpolation based local postprocessing for adaptive finite element approximations in electronic structure calculations
• A Defect Correction Scheme for Finite Element Eigenvalues with Applications to Quantum Chemistry
• Superconvergent two-grid methods for elliptic eigenvalue problems
• A new approach for recovering the gradient and a posteriori error estimates
• A finite element recovery approach to Green's function approximations with applications to electrostatic potential computation
• A Kohn-Sham equation solver based on hexahedral finite elements
• Finite volume discretizations for eigenvalue problems with applications to electronic structure calculations

Uses Software

• deal.ii
• PARSEC

This page was built for publication: A finite element recovery approach to eigenvalue approximations with applications to electronic structure calculations

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q356769)