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The paper deals with error estimates and lower bound approximations of the Steklov eigenvalue problems on convex or concave domains by nonconforming finite element methods. We consider four types of nonconforming finite elements: Crouzeix-Raviart, , and enriched Crouzeix-Raviart. We first derive error estimates for the nonconforming finite element approximations of the Steklov eigenvalue problem and then give the analysis of lower bound approximations. Some numerical results are presented to...
Many problems in quantum chemistry deal with the computation of fundamental or excited states of molecules and lead to the resolution of eigenvalue problems. One of the major difficulties in these computations lies in the very large dimension of the systems to be solved. Indeed these eigenfunctions depend on variables where stands for the number of particles (electrons and/or nucleari) in the molecule. In order to diminish the size of the systems to be solved, the chemists have proposed many...
Many problems in quantum
chemistry deal with the computation of fundamental or excited states of
molecules and lead to the resolution of eigenvalue problems. One of the
major difficulties in these computations lies in the very large
dimension of the systems to be solved. Indeed these eigenfunctions depend
on 3n variables where n stands for the number of particles
(electrons and/or nucleari) in the molecule. In order to diminish the size
of the systems to be solved, the chemists have proposed...
In this article, we provide a priorierror estimates for the spectral and pseudospectral Fourier (also called planewave) discretizations of the periodic Thomas-Fermi-von Weizsäcker (TFW) model and for the spectral discretization of the periodic Kohn-Sham model, within the local density approximation (LDA). These models allow to compute approximations of the electronic ground state energy and density of molecular systems in the condensed phase. The TFW model is strictly convex with respect to the...
In this article, we provide a priori error estimates for the spectral and
pseudospectral Fourier (also called planewave) discretizations of the
periodic Thomas-Fermi-von Weizsäcker (TFW) model and for the spectral
discretization of the periodic Kohn-Sham
model, within the local density approximation (LDA). These models
allow to compute approximations of the electronic ground state energy and density
of molecular systems in the condensed phase. The TFW model is strictly
convex with respect to the...
In this paper we introduce a numerical approach adapted to the minimization of the eigenmodes of a membrane with respect to the domain. This method is based on the combination of the Level Set method of S. Osher and J.A. Sethian with the relaxed approach. This algorithm enables both changing the topology and working on a fixed regular grid.
In this paper we introduce a numerical approach adapted to the minimization
of the eigenmodes of a membrane with respect to the domain. This method is
based on the combination of the Level Set method of S. Osher and J.A.
Sethian with the relaxed approach. This algorithm enables both changing the
topology and working on a fixed regular grid.
We recall here some theoretical results of Helffer et al. [Ann. Inst. H. Poincaré Anal. Non Linéaire (2007) doi:10.1016/j.anihpc.2007.07.004] about minimal partitions and propose numerical computations to check some of their published or unpublished conjectures and exhibit new ones.
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