Related papers: Screening in the finite-temperature reduced Hartre…
The CDW Hartree-Fock state at half filling and half electron per unit cell is examined. Firstly, an exact solution in terms of Bloch-like states is presented. Using this solution we discuss the dynamics near half filling and show the mass…
We propose and analyze a space-time finite element method for Westervelt's quasilinear model of ultrasound waves in second-order formulation. The method combines conforming finite element spatial discretizations with a…
An ab initio Hartree-Fock approach aimed at directly obtaining the localized orthogonal orbitals (Wannier functions) of a crystalline insulator is described in detail. The method is used to perform all-electron calculations on the ground…
Using the fractional moment method it is shown that, within the Hartree-Fock approximation for the Disordered Hubbard Hamiltonian, weakly interacting Fermions at positive temperature exhibit localization, suitably defined as exponential…
The inverse scattering theory for many-body systems in quantum mechanics is an important and difficult issue not only in physics---atomic physics, molecular physics and nuclear physics---but also mathematics. The major purpose in this paper…
The density of an atom in a state of well-defined angular momentum has a specific finite spherical harmonic content, without and with interactions. Approximate single-particle schemes, such as the Hartree, Hartree-Fock, and Local Density…
We present a new approach for calculating the nuclear equation of state and compressibility for finite nuclei using the density-constrained Hartree-Fock method.
To obtain the basis for combining various many-body techniques to QED in a consistent manner, we investigate the theory of quantum electrodynamical self-consistent fields. The reserch interest was born mainly of the electronic structure…
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…
In order to investigate the nature of the phase transition, we study the finite temperature effective potential for the $\lambda \Phi^4$ theory in the Hartree-Fock approximation, which sums up all the daisy and superdaisy diagrams.
We revisit the Hartree-Fock (HF) calculation for the uniform electron gas, or jellium model, whose predictions -- divergent derivative of the energy dispersion relation and vanishing density of states (DOS) at the Fermi level -- are in…
In this paper we present an approach aimed at calculating the optical dielectric constant of crystalline insulators both at the Hartree-Fock, and correlated levels. Our scheme employs a real-space methodology, employing Wannier functions as…
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…
Using the newly introduced theory of finite-temperature reduced density matrix functional theory, we apply the first-order approximation to the homogeneous electron gas. We consider both collinear spin states as well as symmetry broken…
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…
We have compared exact numerical results for the Lipkin model at finite temperature with Hartree-Fock theory and with the results of including in addition the ring diagrams. In the simplest version of the Lipkin model the Hartree-Fock…
In order to analyse classical electromagnetism in a medium at finite temperature we introduce `an optical density operator', and reformulate Maxwell's equations with the operator, starting from the Dirac-equation-like formulation of…
In this paper we present a unified framework for constructing spectrally equivalent low-order-refined discretizations for the high-order finite element de Rham complex. This theory covers diffusion problems in $H^1$, $H({\rm curl})$, and…
We present a new approach to the static finite temperature correlation functions of the Heisenberg chain based on functional equations. An inhomogeneous generalization of the n-site density operator is considered. The lattice path integral…
This article is concerned with the numerical simulations of perfect crystals. We study the rate of convergence of the reduced Hartree-Fock (rHF) model in a supercell towards the periodic rHF model in the whole space. We prove that, whenever…