Related papers: Screening in the finite-temperature reduced Hartre…
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…
We study the half filled Hubbard model on a hypercubic lattice in infinite dimensions in the presence of a staggered magnetic field. An exact Ward-identity between vertex functions and self-energies is derived, that holds in any phase…
We comment on the discretization of the Dirac equation using finite element spaces of differential forms. In order to treat perturbations by low order terms, such as those arizing from electromagnetic fields, we develop some abstract…
We report Hartree-Fock (HF) based pseudopotentials suitable for plane-wave calculations. Unlike typical effective core potentials, the present pseudopotentials are finite at the origin and exhibit rapid convergence in a plane-wave basis;…
We analyze single-core and split-core defect structures in nematic liquid crystals within the Landau-de Gennes framework by studying minimizers of the associated energy functional. A bifurcation occurs at a critical temperature threshold,…
Finite element approximation to a decoupled formulation for the quad--curl problem is studied in this paper. The difficulty of constructing elements with certain conformity to the quad--curl problems has been greatly reduced. For convex…
We explore certain properties of the Hartree-Fock approximation to the ground state of the two-dimensional Hubbard model, emphasizing the fact that in the Hartree approach there is an enormous multiplicity of self-consistent solutions which…
A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here generalized to infinite periodic systems. The scalar-relativistic periodic…
It is well-known that in bulk, the solution of the Bogoliubov-de Gennes equations is the same whether or not the Hartree-Fock term is included. Here the Hartree-Fock potential is position independent and, so, gives the same contribution to…
In this article, we present emerging fields of quantum chemistry at finite temperature. We discuss its recent developments on both experimental and theoretical fronts. First, we describe several experimental investigations related to the…
Finite temperature Green's function technique is used to calculate the energies and damping rates of elementary excitations of the homogeneous, dilute, spin-1 Bose gases below the Bose-Einstein condensation temperature both in the density…
The system describing a single Dirac electron field coupled with classically moving point nuclei is presented and studied. The model is a semi-relativistic extension of corresponding time-dependent one-body Hartree-Fock equation coupled…
The correlation of odd electrons in graphene turns out to be significant so that the species should be attributed to correlated ones. This finding profoundly influences the computational strategy addressing it to multireference…
The metallic phase of the two-orbital Anderson lattice is study in the limit of infinite spatial dimensions, where a second order perturbation treatment is used to solve the single-site problem. Using this approximation, in the Kondo…
Two different approximation schemes for the self-consistent solution of the relativistic Brueckner-Hartree-Fock equation for finite nuclei are discussed using realistic One-Boson-Exchange potentials. In a first scheme, the effects of…
For conventional superconductors the electron-electron interaction is strongly reduced by retardation effects, making the formation of Cooper pairs possible. In the alkali-doped Fullerides, however, there are no strong retardation effects.…
The operator method is used to construct the solutions of the problem of the polaron in the strong coupling limit and of the helium atom on the basis of the Hartree-Fock equation. $E_0=-0.1085128052\alpha^2$ is obtained for the polaron…
We show that the standard textbook description of (restricted) Hartree--Fock theory for (Fermi) Hubbard-like models is in need of an update, and we present such an update allowing us to correct basic and established results in the condensed…
We consider a system of equations that model the temperature, electric potential and deformation of a thermoviscoelastic body. A typical application is a thermistor; an electrical component that can be used e.g. as a surge protector,…
The energy minimization involved in density functional calculations of electronic systems can be carried out using an exponential transformation that preserves the orthonormality of the orbitals. The energy of the system is then represented…