A finite element recovery approach to eigenvalue approximations with applications to electronic structure calculations
From MaRDI portal
Publication:356769
DOI10.1007/s10915-012-9640-5zbMath1272.65086OpenAlexW1995100922MaRDI QIDQ356769
Xingyu Gao, Aihui Zhou, Jun Fang
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
numerical exampleslower boundelliptic eigenvalue problemKohn-Sham equationeigenpair recoverygradient averaginghanging nodehexahedral finite element
Estimates of eigenvalues in context of PDEs (35P15) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)
Related Items
A Kohn-Sham equation solver based on hexahedral finite elements, A new approach for recovering the gradient and a posteriori error estimates, Superconvergent two-grid methods for elliptic eigenvalue problems
Uses Software
Cites Work
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- A note on the preconditioned Gauss--Seidel (GS) method for linear systems
- Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
- Finite element approach for density functional theory calculations on locally-refined meshes
- Three-scale finite element eigenvalue discretizations
- Non-periodic finite-element formulation of Kohn-Sham density functional theory
- Nonconforming finite element methods for eigenvalue problems in linear plate theory
- Elliptic partial differential equations of second order
- Asymptotic lower bounds for eigenvalues by nonconforming finite element methods
- Eigenvalue approximation from below using non-conforming finite elements
- Schrödinger operators in the twentieth century
- Interpolation Based Local Postprocessing for Adaptive Finite Element Approximations in Electronic Structure Calculations
- deal.II—A general-purpose object-oriented finite element library
- Three-Scale Finite Element Discretizations for Quantum Eigenvalue Problems
- Finite Element-Galerkin Approximation of the Eigenvalues and Eigenvectors of Selfadjoint Problems
- A two-grid discretization scheme for eigenvalue problems
- Enhancing Eigenvalue Approximation by Gradient Recovery
- A Defect Correction Scheme for Finite Element Eigenvalues with Applications to Quantum Chemistry
- Electronic Structure
- On the vibrations of a clamped plate under tension
