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On a probabilistic interpretation of shape derivatives of Dirichlet groundstates with application to Fermion nodes

Mathias Rousset (2010)

ESAIM: Mathematical Modelling and Numerical Analysis

This paper considers Schrödinger operators, and presents a probabilistic interpretation of the variation (or shape derivative) of the Dirichlet groundstate energy when the associated domain is perturbed. This interpretation relies on the distribution on the boundary of a stopped random process with Feynman-Kac weights. Practical computations require in addition the explicit approximation of the normal derivative of the groundstate on the boundary. We then propose to use this formulation in the...

On Spectral Stability of Solitary Waves of Nonlinear Dirac Equation in 1D⋆⋆

G. Berkolaiko, A. Comech (2012)

Mathematical Modelling of Natural Phenomena

We study the spectral stability of solitary wave solutions to the nonlinear Dirac equation in one dimension. We focus on the Dirac equation with cubic nonlinearity, known as the Soler model in (1+1) dimensions and also as the massive Gross-Neveu model. Presented numerical computations of the spectrum of linearization at a solitary wave show that the solitary waves are spectrally stable. We corroborate our results by finding explicit expressions for...

On the convergence of SCF algorithms for the Hartree-Fock equations

Eric Cancès, Claude Le Bris (2010)

ESAIM: Mathematical Modelling and Numerical Analysis

The present work is a mathematical analysis of two algorithms, namely the Roothaan and the level-shifting algorithms, commonly used in practice to solve the Hartree-Fock equations. The level-shifting algorithm is proved to be well-posed and to converge provided the shift parameter is large enough. On the contrary, cases when the Roothaan algorithm is not well defined or fails in converging are exhibited. These mathematical results are confronted to numerical experiments performed by chemists.

On the derivation and mathematical analysis of some quantum–mechanical models accounting for Fokker–Planck type dissipation: Phase space, Schrödinger and hydrodynamic descriptions

José Luis López, Jesús Montejo–Gámez (2013)

Nanoscale Systems: Mathematical Modeling, Theory and Applications

This paper is intended to provide the reader with a review of the authors’ latest results dealing with the modeling of quantum dissipation/diffusion effects at the level of Schrödinger systems, in connection with the corresponding phase space and fluid formulations of such kind of phenomena, especially in what concerns the role of the Fokker–Planck mechanism in the description of open quantum systems and the macroscopic dynamics associated with some viscous hydrodynamic models of Euler and Navier–Stokes...

On Threshold Eigenvalues and Resonances for the Linearized NLS Equation

V. Vougalter (2010)

Mathematical Modelling of Natural Phenomena

We prove the instability of threshold resonances and eigenvalues of the linearized NLS operator. We compute the asymptotic approximations of the eigenvalues appearing from the endpoint singularities in terms of the perturbations applied to the original NLS equation. Our method involves such techniques as the Birman-Schwinger principle and the Feshbach map.

Opening gaps in the spectrum of strictly ergodic Schrödinger operators

Artur Avila, Jairo Bochi, David Damanik (2012)

Journal of the European Mathematical Society

We consider Schrödinger operators with dynamically defined potentials arising from continuous sampling along orbits of strictly ergodic transformations. The Gap Labeling Theorem states that the possible gaps in the spectrum can be canonically labelled by an at most countable set defined purely in terms of the dynamics. Which labels actually appear depends on the choice of the sampling function; the missing labels are said to correspond to collapsed gaps. Here we show that for any collapsed gap,...

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