New representations of the Poincaré group describing two interacting bosons
Non-Hermitian quantum mechanics with minimal length uncertainty.
Nonlinear Small Data Scattering for the Wave and Klein-Gordon Equation.
Normal forms for conical intersections in quantum chemistry.
Null structure and almost optimal local regularity for the Dirac-Klein-Gordon system
We prove almost optimal local well-posedness for the coupled Dirac–Klein–Gordon (DKG) system of equations in dimensions. The proof relies on the null structure of the system, combined with bilinear spacetime estimates of Klainerman–Machedon type. It has been known for some time that the Klein–Gordon part of the system has a null structure; here we uncover an additional null structure in the Dirac equation, which cannot be seen directly, but appears after a duality argument.
Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models
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
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 aspects of the nonlinear Schrödinger equation in the semiclassical limit in a supercritical regime
We study numerically the semiclassical limit for the nonlinear Schrödinger equation thanks to a modification of the Madelung transform due to Grenier. This approach allows for the presence of vacuum. Even if the mesh size and the time step do not depend on the Planck constant, we recover the position and current densities in the semiclassical limit, with a numerical rate of convergence in accordance with the theoretical results, before shocks appear in the limiting Euler equation. By using simple...
Numerical aspects of the nonlinear Schrödinger equation in the semiclassical limit in a supercritical regime
We study numerically the semiclassical limit for the nonlinear Schrödinger equation thanks to a modification of the Madelung transform due to Grenier. This approach allows for the presence of vacuum. Even if the mesh size and the time step do not depend on the Planck constant, we recover the position and current densities in the semiclassical limit, with a numerical rate of convergence in accordance with the theoretical results, before shocks appear in the limiting Euler equation. By using simple...
Numerical computation of soliton dynamics for NLS equations in a driving potential.
Oč vlastně jde v teorii Schrodingerových operátorů?
On a class of conservative, highly accurate Galerkin methods for the Schrödinger equation
On a differential equation approach to quantum field theory : causality property for the solutions of Thirring's model
On a probabilistic interpretation of shape derivatives of Dirichlet groundstates with application to Fermion nodes
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 a q-deformed harmonic oscillator with variable linear momentum.
On absorbing boundary conditions for quantum transport equations
On an example of phase-space tunneling
On coupling constant thresholds and related eigenvalue properties of Dirac operators.
On Spectral Stability of Solitary Waves of Nonlinear Dirac Equation in 1D⋆⋆
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
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.