相关论文: Properties of the periodic Hartree-Fock minimizer

Existence of minimizers for the Dirac--Fock model in crystals was recently proved by Paturel and S\'er\'e and the authors \cite{crystals} by a retraction technique due to S\'er\'e \cite{Ser09}. In this paper, inspired by Ghimenti and…

This article is concerned with the derivation and the mathematical study of a new mean-field model for the description of interacting electrons in crystals with local defects. We work with a reduced Hartree-Fock model, obtained from the…

We prove the existence of solutions of the reduced Hartree-Fock equations at finite temperature for a periodic crystal with a small defect, and show total screening of the defect charge by the electrons. We also show the convergence of the…

We study the well-posedness of the reduced Hartree-Fock model for molecules and perfect crystals when taking into account a self-generated magnetic field. We exhibit a critical value $\alpha_c > 0$ such that, if the fine structure constant…

We study the Hartree-Fock model for pseudorelativistic atoms, that is, atoms where the kinetic energy of the electrons is given by the pseudorelativistic operator \sqrt{(pc)^2+(mc^2)^2}-mc^2. We prove the existence of a Hartree-Fock…

We consider the ground state of the homogeneous electron gas and we prove that a Hartree-Fock solution, motivated by previous simulations, has lower energy than the Fermi gas in the large density limit. This solution is a metallic phase :…

In this note we establish the existence of ground states for atoms within several restricted Hartree-Fock theories. It is shown, for example, that there exists a ground state for closed shell atoms with $N$ electrons and nuclear charge $Z…

In a recent article (Canc\`es, Deleurence and Lewin, Commun. Math. Phys., 281 (2008), pp. 129-177), we have rigorously derived, by means of bulk limit arguments, a new variational model to describe the electronic ground state of insulating…

The applicability of the Hartree-Fock and random phase approximations to models of strongly correlated electrons is discussed. The 2D Hubbard model is analyzed. An antiferromagnetic phase (at half filling) and Fermi liquid behavior (at low…

We study the relativistic electron-positron field at positive temperature in the Hartree-Fock-approximation. We consider both the case with and without exchange term, and investigate the existence and properties of minimizers. Our approach…

Using reflection positivity techniques we prove the existence of minimizers for a class of mesoscopic free-energies representing 1D systems with competing interactions. All minimizers are either periodic, with zero average, or of constant…

Whereas many different models exist in the mathematical and physics literature for ground states of non-relativistic crystals, the relativistic case has been much less studied and we are not aware of any mathematical result on a fully…

Hartree-Fock theory is supposed to yield a picture of atomic shells which may or may not be filled according to the atom's position in the periodic table. We prove that shells are always completely filled in an exact Hartree-Fock…

We calculate the ground state phase diagram of the homogeneous electron gas in two dimensions within the Hartree-Fock approximation. At high density, we find stable solutions, where the electronic charge and spin density form an…

We study the energy of relativistic electrons and positrons interacting via the second quantized Coulomb potential in the field of a nucleus of charge Z within the Hartree-Fock approximation. We show that the associated functional has a…

We calculate the ground state phase diagram of the homogeneous electron gas in three dimensions within the Hartree-Fock approximation and show that broken symmetry states are energetically favored at any density against the homogeneous…

For neutral and positively charged atoms and molecules, we prove the existence of infinitely many Hartree-Fock critical points below the first energy threshold (that is, the lowest energy of the same system with one electron removed). This…

In this article, we consider quantum crystals with defects in the reduced Hartree-Fock framework. The nuclei are supposed to be classical particles arranged around a reference periodic configuration. The perturbation is assumed to be small…

The focus of our paper is to investigate the possibility of a minimizer for the Thomas-Fermi-Dirac-von Weizs\"{a}cker model on the lattice graph $\mathbb{Z}^{3}$. The model is described by the following functional: \begin{equation*}…

We determine numerically the ground state of the two-dimensional, fully polarized electron gas within the Hartree-Fock approximation without imposing any particular symmetries on the solutions. At low electronic densities, the Wigner…