Related papers: Natural orbital functional for spin-polarized peri…
We present an approach to renormalized second-order Green's function perturbation theory (GF2) which avoids all dependency on continuous variables, grids or explicit Green's functions, and is instead formulated entirely in terms of static…
We introduce a one-dimensional model for a CuO chain, with holes and $S=1/2$ spins localized in $3d_{x^2-y^2}$ orbitals, and $p_\sigma$ oxygen orbitals without holes in the ground state. We consider a single hole doped at an oxygen site and…
Within the framework of natural orbital functional theory, having a convenient representation of the occupation numbers and orbitals becomes critical for the computational performance of the calculations. Recognizing this, we propose an…
The so-called neutron spin resonance consists of a prominent enhancement of the magnetic response at a particular energy and momentum transfer upon entering the superconducting state of unconventional superconductors. In the case of…
We introduce a new model to explain the modulation of the orbital period observed in close stellar binary systems based on an angular momentum exchange between the spin of the active component and the orbital motion. This spin-orbit…
The multiorbital Hubbard model in the strong coupling limit is analyzed for the effectively antiferromagnetic Hund's coupling relevant to fulleride superconductors with three orbitals per molecule. The localized spin-orbital model describes…
We present an update of a phenomenological model for the spin dependent structure functions $g_1(x,Q^2)$ of the proton and neutron. This model is based on a broken SU(6) wavefunction parametrized by the unpolarized structure functions. The…
Based on the Korringa-Kohn-Rostoker Green's function technique we present a computational scheme for calculating the electronic structure of layered systems with homogeneous spin-spiral magnetic state. From the self-consistent…
The influence of disorder and interaction on the ground state polarization of the two-dimensional (2D) correlated electron gas is studied by numerical investigations of unrestricted Hartree-Fock equations. The ferromagnetic ground state is…
The account of electron correlation and its efficient separation into dynamic and nondynamic parts plays a key role in the development of computational methods. In this paper we suggest a physically-sound matrix formulation to split…
Phenomenological orbital-polarization (OP) terms have been repeatedly introduced in the single-particle equations of spin-density-functional theory, in order to improve the description of orbital magnetic moments in systems containing…
We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…
We derive the effective charge- and current-density operators for the strong-coupling limit of a single-band Mott insulator in the presence of spin-orbit coupling and show that the spin-orbit contribution to the effective charge density…
External non-uniform magnetic fields acting on molecules induce non-collinear spin-densities and spin-symmetry breaking. This necessitates a general two-component Pauli spinor representation. In this paper, we report the implementation of a…
Relativistic self-consistent mean-field (SCMF) models naturally account for the coupling of the nucleon spin to its orbital motion, whereas non-relativistic SCMF methods necessitate a phenomenological ansatz for the effective spin-orbit…
We present a general theory of multiorbital spin waves in magnetically ordered metallic systems. Motivated by the itinerant magnetism of iron-based superconductors, we compare the magnetic excitations for two different scenarios: when the…
A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…
Density functional theory provides the most widespread framework for the realistic description of the electronic structure of solids, but the description of strongly-correlated systems has remained so far elusive. Here we consider a…
The Coulomb Green's function (GF) for non-relativistic charged particle in field of attractive Coulomb force is extended to describe the interaction of two non-relativistic electrons through repulsive Coulomb forces. Closed-form expressions…
Spin is a fundamental property of any many-electron system. The ability of density functional theory to accurately predict the physical properties of a system, while varying its spin, is crucial for describing magnetic materials and…