Related papers: On the Spatial Locality of Electronic Correlations…
In view of the recent experimental facts in the iron-pnictides, we make a proposal that the itinerant electrons and local moments are simultaneously present in such multiband materials. We study a minimal model composed of coupled itinerant…
We present an \emph{Effective Static Approximation} (ESA) to the local field correction (LFC) of the electron gas that enables highly accurate calculations of electronic properties like the dynamic structure factor $S(q,\omega)$, the static…
Within density-functional theory, the local-density approximation (LDA) correlation functional is typically built by fitting the difference between the near-exact and Hartree-Fock (HF) energies of the uniform electron gas (UEG), together…
The interplay between structural phase and electronic correlations has been an intriguing topic of research. An prominent example is the pressure-induced uncollapsed to collapsed tetragonal phase transition observed in CaFe$_2$As$_2$, which…
Theoretical descriptions of the spectrum of electronic excitations in real metals have not yet reached a fully predictive, "first-principles" stage. In this paper we begin by presenting brief highlights of recent progress made in the…
A self-consistent 1-D model was developed to study the effects of non-local electron conductivity on power absorption and plasma density profiles in a planar inductively coupled argon discharge at low pressures (< 10 mTorr). The model…
We train a neural network as the universal exchange-correlation functional of density-functional theory that simultaneously reproduces both the exact exchange-correlation energy and potential. This functional is extremely non-local, but…
We extend a previous analysis of spatial correlation functions for classical electromagnetic vector fields near a perfectly conducting boundary [PRE, vol. 73, 036604 (2006)] to the case of an isotropic semi-infinite medium with planar…
The Electron Localization Function (ELF) by Becke and Edgecombe [J. Chem. Phys. {\bf 92}, 5397 (1990)] is routinely adopted as a descriptor of atomic shells and covalent bonds. Since the ELF and its related quantities find useful…
We propose a formalism to take account of the correction of the spatial fluctuations to the local self-energy obtained by the dynamical mean-field approximation. For this purpose, the approximate dynamical susceptibility in the framework of…
We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies and electron densities of inhomogeneous model systems, we…
The electronic structure and magnetic properties of LiFeAs and FeSe have been studied using hybrid exchange density functional theory. The total energies for a unit cell in LiFeAs and FeSe with different spin states including non-magnetic…
We present a general approach for the construction of the exact local-energy-density functionals for a uniform N-dimensional electronic system in a magnetic field. For arbitrary dimension, we obtain explicit expressions for the matter,…
We show that the local density of states (LDOS) of a wide class of tight-binding models has a weak body-order expansion. Specifically, we prove that the resulting body-order expansion for analytic observables such as the electron density or…
Detailed tunneling spectroscopy of vortex core states can provide important insight to the momentum structure of the superconducting order parameter. We present a theoretical study of vortex bound states in iron-based superconductors by use…
We discuss a possible form for a theory akin to local density functional theory, but able to produce van der Waals energies in a natural fashion. The usual Local Density Approximation (LDA) for the exchange and correlation energy $E_{xc}$…
We calculate the correlation energy of a two-dimensional homogeneous electron gas using several available approximations for the exchange-correlation kernel $f_{\rm xc}(q,\omega)$ entering the linear dielectric response of the system. As in…
In local effective potential theories of electronic structure, the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and correlation-kinetic effects, are all incorporated in the local electron-interaction…
A major question in Fe-based superconductors remains the structure of the pairing, in particular whether it is of unconventional nature. The electronic structure near vortices can serve as a platform for phase-sensitive measurements to…
We investigated the local density of states (LDOS) of a normal metal (N) in good electrical contact with a superconductor (S) as a function of the distance $x$ to the NS interface. The sample consists of a pattern of alternate stripes of Au…