Related papers: Mean-field models for disordered crystals
The Dirac-Fock (DF) model replaces the Hartree-Fock (HF) approximation in quantum chemistry when relativistic effects cannot be neglected. Since the Dirac operator is not bounded from below, the notion of ground state is problematic in this…
In this report we summarize a recent progress in exploration of correlated two-dimensional electron states in partially filled high Landau levels. At a mean-field Hartree-Fock level they can be described as charge-density waves, either…
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 ground state of the disordered Bose-Hubbard model for spin-1 particles by means of the stochastic mean-field theory. This approach enables the determination of the probability distributions of various physical quantities, such…
We study the interplay of electron-electron and electron-disorder scattering in correlated Fermi liquids by the disordered Hubbard model using dynamical mean-field theory with an IPT-CPA solver. We find significant violations of…
A relativistic Hartree-Bogoliubov (RHB) model based on quark-meson coupling is developed, with a new parametrization derived from experimental observables. Using this model, we systematically investigate the ground-state properties of…
{Full three dimensional static and dynamic mean field calculations using collocation basis splines with a Skyrme type Hamiltonian are described. This program is developed to address the difficult theoretical challenges offered by exotic…
We compare the systematics of binding energies computed within the standard and extended versions of the relativistic mean-field (RMF) model and the Skyrme Hartree-Fock (SHF) model. The general trends for the binding energies for…
We calculate the Hartree-Fock energy of a density-wave in a spin polarized two-dimensional electron gas using a short-range repulsive interaction. We find that the stable ground state for a short-range potential is always either the…
Here we work out in detail a non-perturbative approach to the dirty boson problem, which relies on the Hartree-Fock theory and the replica method. For a weakly interacting Bose gas within a trapped confinement and a delta-correlated…
Mixtures of bare atomic nuclei on a nearly uniform degenerate electron background are a realistic model of matter in the interior of white dwarfs. Despite tremendous progress in understanding their phase diagrams achieved mainly via…
In this paper, we establish general scaling limits for nearly unstable Hawkes processes in a mean-field regime by extending the method introduced by Jaisson and Rosenbaum. Under a mild asymptotic criticality condition on the self-exciting…
The question of how density functional theory (DFT) compares with Hartree-Fock (HF) for the computation of momentum-space properties is addressed in relation to systems for which (near) exact Kohn-Sham (KS) and HF one-electron matrices are…
We show that incorporation of strong electron correlations into the Kohn-Sham scheme of band structure calculations leads to a modification of the standard model of the lanthanides and that this procedure removes the existing discrepancy…
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…
Static electric response properties of atoms and molecules are reported within the real-space Cartesian grid implementation of pseudopotential Kohn-Sham (KS) density functional theory (DFT). A detailed systematic investigation is made for a…
We consider the three-dimensional electron gas confined by a strictly two-dimensional homogeneous positive charge density at $z=0$. Within the Hartree-Fock approximation, we study the mode structure in the confined direction in the metallic…
We present a comprehensive study of generalized Wigner crystals across various filling factors for system sizes up to 162 holes employing Hartree-Fock theory and explicitly correlated wave function approaches. While we find broad agreement…
Noncollinear magnetic states in clusters are studied by using the single-band Hubbard Hamiltonian. The unrestricted Hartree-Fock (UHF) approximation is considered without imposing any symmetry constraints neither to the size or orientation…
For the Hirshfeld-I atom-in-molecule model, associated single-atom energies and interaction energies at the Hartree-Fock level are determined efficiently in one-electron Hilbert space. In contrast to most other approaches, the energy terms…