Non-consistent approximations of self-adjoint eigenproblems: application to the supercell method

DOI10.1007/S00211-014-0626-0zbMATH Open1305.65224arXiv1205.0331OpenAlexW2063970390MaRDI QIDQ478096FDOQ478096

Authors: É. Cancès, Virginie Ehrlacher, Yvon Maday 

Publication date: 3 December 2014

Published in: Numerische Mathematik (Search for Journal in Brave)

Abstract: In this article, we introduce a general theoretical framework to analyze non-consistent approximations of the discrete eigenmodes of a self-adjoint operator. We focus in particular on the discrete eigenvalues laying in spectral gaps. We first provide a priori error estimates on the eigenvalues and eigenvectors in the absence of spectral pollution. We then show that the supercell method for perturbed periodic Schr"odinger operators falls into the scope of our study. We prove that this method is spectral pollution free, and we derive optimal convergence rates for the planewave discretization method, taking numerical integration errors into account. Some numerical illustrations are provided.

Full work available at URL: https://arxiv.org/abs/1205.0331

Recommendations

• Periodic Schrödinger operators with local defects and spectral pollution
• On approximation of the eigenvalues of perturbed periodic Schrödinger operators
• Spectral enclosure and superconvergence for eigenvalues in gaps
• Eigenvalues computation by the generalized spectrum method of Schrödinger's operator
• Convergence of the Supercell Method for Defect Modes Calculations in Photonic Crystals

zbMATH Keywords

convergenceeigenvalueeigenvectornumerical examplea priori error estimatesSchrödinger operator

Mathematics Subject Classification ID

Schrödinger operator, Schrödinger equation (35J10) Estimates of eigenvalues in context of PDEs (35P15) Stability and convergence of numerical methods for boundary value problems involving PDEs (65N12) Error bounds for boundary value problems involving PDEs (65N15) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)

Cites Work

• Theory and practice of finite elements.
• Mixed and Hybrid Finite Element Methods
• On spectral approximation. Part 1. The problem of convergence
• On spectral approximation. Part 2. Error estimates for the Galerkin method
• Title not available (Why is that?)
• On the problem of spurious eigenvalues in the approximation of linear elliptic problems in mixed form
• Schrödinger semigroups
• On the approximation of spectra of linear operators on Hilbert spaces
• Convergence of the Supercell Method for Defect Modes Calculations in Photonic Crystals
• Title not available (Why is that?)
• Spectral pollution
• Planewave expansion methods for photonic crystal fibres
• Spectral pollution and how to avoid it
• On spectral pollution in the finite element approximation of thin elastic ``membrane shells
• Non-variational computation of the eigenstates of Dirac operators with radially symmetric potentials
• Non-variational approximation of discrete eigenvalues of self-adjoint operators
• Spectral pollution and second-order relative spectra for self-adjoint operators
• On approximation of the eigenvalues of perturbed periodic Schrödinger operators
• Eigenvalues in spectral gaps of differential operators
• Generalized Weyl theorems and spectral pollution in the Galerkin method
• Numerical approximation of the spectra of non-compact operators arising in buckling problems
• Essential Numerical Range of an Operator with Respect to a Coercive form and the Approximation of Its Spectrum by the Galerkin Method
• The Resolvent Stability Condition for Spectra Convergence with Application to the Finite Element Approximation of Noncompact Operators
• Optimal Error Estimates for the Finite Element Spectral Approximation of Noncompact Operators
• Title not available (Why is that?)
• Periodic Schrödinger operators with local defects and spectral pollution

Cited In (5)

• Finite-size effects in response functions of molecular systems
• A priori error estimates for finite element approximations to eigenvalues and eigenfunctions of the Laplace-Beltrami operator
• Introduction to first-principle simulation of molecular systems
• Periodic Schrödinger operators with local defects and spectral pollution
• Discretization error cancellation in the plane-wave approximation of periodic Hamiltonians with Coulomb singularities

This page was built for publication: Non-consistent approximations of self-adjoint eigenproblems: application to the supercell method

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q478096)