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Nonconforming finite element approximations of the Steklov eigenvalue problem and its lower bound approximations

Qin Li, Qun Lin, Hehu Xie (2013)

Applications of Mathematics

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, Q 1 rot , E Q 1 rot 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...

Numerical analysis of the adiabatic variable method for the approximation of the nuclear hamiltonian

Yvon Maday, Gabriel Turinici (2001)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

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 3 n 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 many...

Numerical Analysis of the Adiabatic Variable Method for the Approximation of the Nuclear Hamiltonian

Yvon Maday, Gabriel Turinici (2010)

ESAIM: Mathematical Modelling and Numerical Analysis

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...

Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models

Eric Cancès, Rachida Chakir, Yvon Maday (2012)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

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...

Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models

Eric Cancès, Rachida Chakir, Yvon Maday (2011)

ESAIM: Mathematical Modelling and Numerical Analysis

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...

Numerical minimization of eigenmodes of a membrane with respect to the domain

Édouard Oudet (2004)

ESAIM: Control, Optimisation and Calculus of Variations

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.

Numerical minimization of eigenmodes of a membrane with respect to the domain

Édouard Oudet (2010)

ESAIM: Control, Optimisation and Calculus of Variations

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.

Numerical simulations for nodal domains and spectral minimal partitions

Virginie Bonnaillie-Noël, Bernard Helffer, Gregory Vial (2010)

ESAIM: Control, Optimisation and Calculus of Variations

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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