Non-unitary scattering and capture. II. Quantum dynamical semigroup theory
Norm group convergence for singular Schrödinger operators
Normal forms for conical intersections in quantum chemistry.
Note on a construction of unbounded measures on a nonseparable Hilbert space quantum logic
Note to the paper by R. Hempel, A. M. Hinz, and H. Kalf: On the Essential Spectrum of Schrödinger Operators with Spherically Symmetric Potentials.
Notes on the essential system to acquire information.
Notes on TQFT wire models and coherence equations for triangular cells.
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.
Number operator algebras.
Numerical analysis of the adiabatic variable method for the approximation of the nuclear hamiltonian
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...
Numerical Analysis of the Adiabatic Variable Method for the Approximation of the Nuclear Hamiltonian
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
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.