Displaying similar documents to “The mixed regularity of electronic wave functions multiplied by explicit correlation factors”

The continuous Coupled Cluster formulation for the electronic Schrödinger equation

Thorsten Rohwedder (2013)

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

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Nowadays, the Coupled Cluster (CC) method is the probably most widely used high precision method for the solution of the main equation of electronic structure calculation, the . Traditionally, the equations of CC are formulated as a nonlinear approximation of a Galerkin solution of the electronic Schrödinger equation, within a given discrete subspace. Unfortunately, this concept prohibits the direct application of concepts of nonlinear numerical analysis to obtain existence and uniqueness...

Multi-bump solutions for nonlinear Schrödinger equations with electromagnetic fields

Huirong Pi, Chunhua Wang (2013)

ESAIM: Control, Optimisation and Calculus of Variations

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In this paper, we are concerned with the existence of multi-bump solutions for a nonlinear Schrödinger equations with electromagnetic fields. We prove under some suitable conditions that for any positive integer , there exists () > 0 such that, for 0 <  < (), the problem has an -bump complex-valued solution. As a result, when  → 0, the equation has more and more multi-bump complex-valued solutions.

Controllability of Schrödinger equation with a nonlocal term

Mariano De Leo, Constanza Sánchez Fernández de la Vega, Diego Rial (2014)

ESAIM: Control, Optimisation and Calculus of Variations

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This paper is concerned with the internal distributed control problem for the 1D Schrödinger equation,   () = − +() +() , that arises in quantum semiconductor models. Here () is a non local Hartree–type nonlinearity stemming from the coupling with the 1D Poisson equation, and () is a regular function with linear growth at infinity, including constant electric fields. By means of both the Hilbert Uniqueness Method and the contraction mapping theorem it is...

Uniform controllability of the linear one dimensional Schrödinger equation with vanishing viscosity

Sorin Micu, Ionel Rovenţa (2012)

ESAIM: Control, Optimisation and Calculus of Variations

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This article considers the linear 1-d Schrödinger equation in (0) perturbed by a vanishing viscosity term depending on a small parameter  > 0. We study the boundary controllability properties of this perturbed equation and the behavior of its boundary controls as goes to zero. It is shown that, for any time sufficiently large but independent of and for each initial datum in ...

Uniform controllability of the linear one dimensional Schrödinger equation with vanishing viscosity

Sorin Micu, Ionel Rovenţa (2012)

ESAIM: Control, Optimisation and Calculus of Variations

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This article considers the linear 1-d Schrödinger equation in (0) perturbed by a vanishing viscosity term depending on a small parameter  > 0. We study the boundary controllability properties of this perturbed equation and the behavior of its boundary controls as goes to zero. It is shown that, for any time sufficiently large but independent of and for each initial datum in ...

error analysis for the Crank-Nicolson method for linear Schrödinger equations

Irene Kyza (2011)

ESAIM: Mathematical Modelling and Numerical Analysis

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We prove error estimates of optimal order for linear Schrödinger-type equations in the ( )- and the ( )-norm. We discretize only in time by the Crank-Nicolson method. The direct use of the reconstruction technique, as it has been proposed by Akrivis in [ (2006) 511–531], leads to upper bounds that are of optimal order in the ( )-norm, but of suboptimal order in the ...

A posteriori error analysis for the Crank-Nicolson method for linear Schrödinger equations

Irene Kyza (2011)

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

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We prove error estimates of optimal order for linear Schrödinger-type equations in the ( )- and the ( )-norm. We discretize only in time by the Crank-Nicolson method. The direct use of the reconstruction technique, as it has been proposed by Akrivis in [ 75 (2006) 511–531], leads to upper bounds that are of optimal order in the ( )-norm, but of suboptimal order in the ( ...

High-frequency limit of the Maxwell-Landau-Lifshitz equations in the diffractive optics regime

LU Yong (2012)

ESAIM: Proceedings

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We study the Maxwell-Landau-Lifshitz system for highly oscillating initial data, with characteristic frequencies (1  ) and amplitude (1), over long time intervals (1  ), in the limit  → 0. We show that a nonlinear Schrödinger equation gives a good approximation for the envelope of the solution in the time interval under consideration. This extends previous results of Colin and Lannes [1]. This text is a short version of the article [5].

Basic principles of mixed Virtual Element Methods

F. Brezzi, Richard S. Falk, L. Donatella Marini (2014)

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

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The aim of this paper is to give a simple, introductory presentation of the extension of the Virtual Element Method to the discretization of (div)-conforming vector fields (or, more generally, of ( − 1) − ). As we shall see, the methods presented here can be seen as extensions of the so-called BDM family to deal with more general element geometries (such as polygons with an almost arbitrary geometry). For the sake of simplicity, we limit ourselves to the 2-dimensional case, with the...

On the binding of polarons in a mean-field quantum crystal

Mathieu Lewin, Nicolas Rougerie (2013)

ESAIM: Control, Optimisation and Calculus of Variations

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We consider a multi-polaron model obtained by coupling the many-body Schrödinger equation for interacting electrons with the energy functional of a mean-field crystal with a localized defect, obtaining a highly non linear many-body problem. The physical picture is that the electrons constitute a charge defect in an otherwise perfect periodic crystal. A remarkable feature of such a system is the possibility to form a bound state of electrons via their interaction with the polarizable...

T-coercivity for scalar interface problems between dielectrics and metamaterials

Anne-Sophie Bonnet-Ben Dhia, Lucas Chesnel, Patrick Ciarlet (2012)

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

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Some electromagnetic materials have, in a given frequency range, an effective dielectric permittivity and/or a magnetic permeability which are real-valued negative coefficients when dissipation is neglected. They are usually called metamaterials. We study a scalar transmission problem between a classical dielectric material and a metamaterial, set in an open, bounded subset of R, with  = 23. Our aim is to characterize occurences where the problem is well-posed within the Fredholm (or...

Some special solutions of self similar type in MHD, obtained by a separation method of variables

Michel Cessenat, Philippe Genta (2010)

ESAIM: Mathematical Modelling and Numerical Analysis

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We use a method based on a separation of variables for solving a first order partial differential equations system, using a very simple modelling of MHD. The method consists in introducing three unknown variables , , in addition to the time variable and then in searching a solution which is separated with respect to and only. This is allowed by a very simple relation, called a “metric separation equation”, which...