相关论文: A new definition of the Dirac-Fock ground state

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…

The exchange part of energy density of the linear Dirac--Hartree--Fock (DHF) model in symmetric nuclear matter is evaluated in a parameter--free closed form and expressed as density functional. After the rearranging terms the relativistic…

An overview on various results concerning the Dirac-Fock model, the various variational characterization of its solutions and its nonrelativistic limit. A notion of ground state for this totally unbounded is also defined.

The Bogoliubov-Dirac-Fock (BDF) model allows to describe relativistic electrons interacting with the Dirac sea. It can be seen as a mean-field approximation of Quantum Electro-dynamics (QED) where photons are neglected. This paper treats…

The Bogoliubov-Dirac-Fock (BDF) model is the mean-field approximation of no-photon Quantum Electrodynamics. The present paper is devoted to the study of the minimization of the BDF energy functional under a charge constraint. An associated…

In this paper, we study the error bound between the Dirac--Fock ground-state energy and the Hartree--Fock ground-state energy, a quantity known as the relativistic effect in quantum mechanics. We confirm that the relativistic effect in the…

Accurate modeling of conical intersections is crucial in nonadiabatic molecular dynamics, as these features govern processes such as radiationless transitions and photochemical reactions. Conventional electronic structure methods, including…

We study the Bogoliubov-Dirac-Fock (BDF) model, a no-photon, mean-field approxi- mation of quantum electrodynamics that allows to study relativistic electrons interacting with the vacuum. It is a variational model in which states are…

We use different types of determinantal Hartree-Fock (HF) wave functions to calculate variational bounds for the ground state energy of spin-half fermions in volume V_0, with mass m, electric charge zero, and magnetic moment mu, which are…

Starting with a bare nucleon-nucleon interaction, for the first time the full relativistic Brueckner-Hartree-Fock equations are solved for finite nuclei in a Dirac-Woods-Saxon basis. No free parameters are introduced to calculate the…

We study the reduced Bogoliubov-Dirac-Fock (BDF) energy which allows to describe relativistic electrons interacting with the Dirac sea, in an external electrostatic potential. The model can be seen as a mean-field approximation of Quantum…

A uniform derivation is presented of the self-consistent field equations in a finite basis set. Both restricted and unrestricted Hartree-Fock (HF) theory as well as various density functional (DF) approximations are considered. The unitary…

The Bogoliubov-Dirac-Fock (BDF) model is a no-photon, mean-field approxi- mation of quantum electrodynamics. It describes relativistic electrons in the Dirac sea. In this model, a state is fully characterized by its one-body density matrix,…

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…

According to the `folk knowledge', the Hartree-Fock (H-F) approximation applied to the Hubbard model becomes exact in the limit of small coupling $U$ (the smaller $|U|$, the better is the H-F approximation). In \cite{BP} Bach and Poelchau…

We prove that the ground state for the Dirac equation on Minkowski space in static, smooth external potentials satisfies the Hadamard condition. We show that it follows from a condition on the support of the Fourier transform of the…

We study atomic ground state energies for neutral atoms as the nuclear charge $Z$ is large in the no-pair formalism. We show that for a large class of projections defining the underlying Dirac sea -- covering not only the physical…

We study the ground state solutions of the Dirac-Fock model in the case of weak electronic repulsion, using bifurcation theory. They are solutions of a min-max problem. Then we investigate a max-min problem coming from the electron-positron…

In has been recently shown [1] that in Dirac's hole theory the vacuum state is not the minimum energy state but that there exist quantum states with less energy than that of the vacuum state. In this paper we extend this discussion to…

Background: Time-dependent techniques in nuclear theory often rely on mean-field or Hartree-Fock descriptions. Beyond mean-field dynamical calculations within the time-dependent density matrix (TDDM) theory have often invoked symmetry…