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Non-consistent approximations of self-adjoint eigenproblems: Application to the supercell method
Cancès E., Ehrlacher V., Maday Y.
http://hal.archives-ouvertes.fr/hal-00694017
Preprint, Working Paper, ...
Mathematics/Functional Analysis
Non-consistent approximations of self-adjoint eigenproblems: Application to the supercell method
Eric Cancès 1, 2, Virginie Ehrlacher 1, 2, Yvon Maday 3
1:  Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique (CERMICS)
http://cermics.enpc.fr/
Ecole des Ponts ParisTech
6 et 8 avenue Blaise Pascal Cité Descartes - Champs sur Marne 77455 Marne la Vallée Cedex 2
France
2:  MICMAC (INRIA Paris - Rocquencourt)
Ecole des Ponts ParisTech – INRIA
France
3:  Laboratoire Jacques-Louis Lions (LJLL)
http://www.ann.jussieu.fr
CNRS : UMR7598 – Université Pierre et Marie Curie [UPMC] - Paris VI
B.C. 187 75252 Paris Cedex 05
France
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 Schrödinger 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.
English
2012-05-02

29 pages, 5 figures

Project Id MANIF

Fulltext link: 
http://fr.arXiv.org/abs/1205.0331