Three-Scale Finite Element Discretizations for Quantum Eigenvalue Problems

DOI10.1137/06067780XMaRDI QIDQ3614180zbMATH OpenOpenAlexFDO

Authors Xiaoying Dai, Aihui Zhou

Publication date 16 March 2009

Published in SIAM Journal on Numerical Analysis (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1137/06067780x

zbMATH Keywords

numerical examplesparallel computationfinite elementground state energylocal computationquantum chemistryKohn-Sham equationquantum eigenvalue problemsthree-scale

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Estimates of eigenvalues in context of PDEs (35P15) PDEs in connection with quantum mechanics (35Q40) Error bounds for boundary value problems involving PDEs (65N15) 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) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50)

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Cited in

(49)

• Local and parallel multigrid method for semilinear Neumann problem with nonlinear boundary condition
• Gradient flow based Kohn-Sham density functional theory model
• Local and parallel finite element schemes for the elastic transmission eigenvalue problem
• Interpolation based local postprocessing for adaptive finite element approximations in electronic structure calculations
• A two-grid discretization scheme of non-conforming finite elements for transmission eigenvalues
• The two-grid discretization of Ciarlet-Raviart mixed method for biharmonic eigenvalue problems
• An unconditionally energy-stable and orthonormality-preserving scheme for the Kohn-Sham gradient flow based model based on a tetrahedral spectral element method
• Two-scale finite element discretizations for nonlinear eigenvalue problems in quantum physics
• Multilevel finite element discretizations based on local defect correction for nonsymmetric eigenvalue problems
• H^2-conforming methods and two-grid discretizations for the elastic transmission eigenvalue problem
• A new multigrid finite element method for the transmission eigenvalue problems
• Local and parallel multigrid method for semilinear elliptic equations
• An augmented two-scale finite element method for eigenvalue problems
• A new adaptive mixed finite element method based on residual type a posterior error estimates for the Stokes eigenvalue problem
• Two-grid discretizations and a local finite element scheme for a non-selfadjoint Stekloff eigenvalue problem
• Local a priori/a posteriori error estimates of conforming finite elements approximation for Steklov eigenvalue problems
• Local and parallel finite element algorithms for the transmission eigenvalue problem
• The multilevel mixed finite element discretizations based on local defect-correction for the Stokes eigenvalue problem
• The multigrid discretization of mixed discontinuous Galerkin method for the biharmonic eigenvalue problem
• A multigrid discretization scheme based on the shifted inverse iteration for the Steklov eigenvalue problem in inverse scattering
• A two-scale discretization scheme for mixed variational formulation of eigenvalue problems
• Local defect-correction method based on multilevel discretization for Steklov eigenvalue problem
• A multi-level mixed element method for the eigenvalue problem of biharmonic equation
• Three-scale finite element eigenvalue discretizations
• Stabilized two-grid discretizations of locking free for the elasticity eigenvalue problem
• Order reduced schemes for the fourth order eigenvalue problems on multi-connected planar domains
• An unconditionally energy-stable and orthonormality-preserving iterative scheme for the Kohn-Sham gradient flow based model
• The shifted-inverse iteration based on the multigrid discretizations for eigenvalue problems
• Multilevel local defect-correction method for nonsymmetric eigenvalue problems
• Local and parallel finite element discretizations for eigenvalue problems
• A multilevel correction method for convection-diffusion eigenvalue problems
• Analysis of the Feshbach-Schur method for the Fourier spectral discretizations of Schrödinger operators
• Efficient orbital-wise splitting SAV schemes for the Kohn-Sham gradient flow based model
• A singularity-based eigenfunction decomposition for Kohn-Sham equations
• The local and parallel finite element scheme for electric structure eigenvalue problems
• Multiscale Approach for Quantum Systems
• Adaptive Finite Element Approximations for Kohn--Sham Models
• A class of spectral element methods and its a priori/a posteriori error estimates for 2nd-order elliptic eigenvalue problems
• The two-grid and multigrid discretizations of the \(C^0\)IPG method for biharmonic eigenvalue problem
• Symmetrized two-scale finite element discretizations for partial differential equations with symmetric solutions
• A multigrid correction scheme for a new Steklov eigenvalue problem in inverse scattering
• The adaptive finite element method based on multi-scale discretizations for eigenvalue problems
• A Kohn-Sham equation solver based on hexahedral finite elements
• Local and parallel finite element algorithms for the Steklov eigenvalue problem
• Multilevel local defect-correction method for the non-selfadjoint Steklov eigenvalue problems
• A finite element recovery approach to eigenvalue approximations with applications to electronic structure calculations
• Two-grid based adaptive proper orthogonal decomposition method for time dependent partial differential equations
• Superconvergence two-grid scheme based on shifted-inverse power method for eigenvalue problems by function value recovery
• Sign-preserving of principal eigenfunctions in P1 finite element approximation of eigenvalue problems of second-order elliptic operators

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