Related papers: The reduced Hartree-Fock model with self-generated…
In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting…
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…
We present here a review of the fundamental topics of Hartree-Fock theory in Quantum Chemistry. From the molecular Hamiltonian, using and discussing the Born-Oppenheimer approximation, we arrive to the Hartree and Hartree-Fock equations for…
We investigate the ordering instability of interacting (and for simplicity, spinless) fermions on graphene's honeycomb lattice by numerically computing the Hartree self-consistent solution for the charge-density-wave order parameter in…
Symmetry restoration in a theory of a self-interacting charged scalar field at finite temperature and in the presence of an external magnetic field is examined. The effective potential is evaluated nonperturbatively in the context of the…
We explore magnetic behavior of kagome francisites Cu3Bi(SeO3)2O2X (X = Cl and Br) using first-principles calculations. To this end, we propose an approach based on the Hubbard model in the Wannier functions basis constructed on the level…
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…
We analyze the criterion for the appearance of magnetic moments in quasicrystals approximants and liquids Al-Mn. In a Hartree-Fock scheme, it is shown that the Stoner criterion (Un_d(E_F) > 1) does not apply to these systems due to the…
We establish the Hatsugai-Kohmoto model as a stable quartic fixed point (distinct from Wilson-Fisher) by computing the $\beta-$function in the presence of perturbing local interactions. In vicinity of the half-filled doped Mott state, the…
In the limit of infinite spatial dimensions a thermodynamically consistent theory, which is valid for arbitrary value of the Coulombic interaction ($U<\infty$), is built for the Hubbard model when the total auxiliary single-site problem…
This work focuses on the problem of exact model reduction of positive linear systems, by leveraging minimal realization theory. While determining the existence of a positive reachable realization remains in general an open problem, we are…
We provide explicit lower bounds for the ground-state energy of the renormalized Nelson model in terms of the coupling constant $\alpha$ and the number of particles $N$, uniform in the meson mass and valid even in the massless case. In…
Flat magnetic nano-elements are an essential component of current and future spintronic devices. By shaping an element it is possible to select and stabilize chosen metastable magnetic states, control its magnetization dynamics. Here, using…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…
We study critical behaviour of a magnet with cubic anisotropy and quenched scalar disorder which is taken into account by replica method. We derive to first order in $\epsilon$ approximation the renormalization group equations taking into…
We introduce the Hamiltonian dynamics with the Hartree-Fock energy in new {\it wave-matrix} picture. Roughly speaking, the wave matrix is defined as the square root of the density matrix. The corresponding Hamiltonian equations are…
It is shown that four-component (4C), quasi-four-component (Q4C), and exact two-component (X2C) relativistic Hartree-Fock (HF) equations can be implemented in an unified manner, by making use of the atomic nature of the small components of…
The Brueckner--Hartree--Fock formalism is applied to study spin polarized neutron matter properties. Results of the total energy per particle as a function of the spin polarization and density are presented for two modern realistic…
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…
Using the recently developed theory of rigorously validated numerics, we address the Phase-Field-Crystal (PFC) model at the microscopic (atomistic) level. We show the existence of critical points and local minimizers associated with…