Related papers: On the way to a Gutzwiller density functional theo…
Electronic properties of quasi-two-dimensional molecular conductors $X$[Pd(dmit)$_2$]$_2$ are studied theoretically. We construct an effective model based on the fragment molecular orbital scheme developed recently, which can describe the…
The block entanglement entropy and fluctuations are investigated in one dimension in finite size correlated electron systems using the Gutzwiller wave function as a prototype correlated electron state. Entanglement entropy shows logarithmic…
We study itinerant ferromagnetism in a $t_{2g}$ multi-orbital Hubbard system in the cubic lattice, which consists of three planar oriented orbital bands of $d_{xy}$, $d_{yz}$, and $d_{zx}$. Electrons in each orbital band can only move…
We study the electronic structure of a strongly correlated d-wave superconducting state. Combining a renormalized mean field theory with direct calculation of matrix elements, we obtain explicit analytical results for the nodal Fermi…
We report on numerically exact determinantal quantum Monte Carlo simulations of the onset of spin-density wave (SDW) order in itinerant electron systems captured by a sign-problem-free two-dimensional lattice model. Extensive measurements…
In this review we recapitulate the basic features of the flat-band spin systems and briefly summarize earlier studies in the field. Main emphasis is made on recent developments which include results for both spin and electron flat-band…
We analyze the various approaches to construct exchange-correlation functionals which are able to describe states of definite spin multiplicity in the DFT realm and outline the characteristics of possible functionals consistent with the…
We report quasiparticle-energy calculations of the electronic bandstructure as measured by valence-band photoemission for selected II-VI compounds and group-III-nitrides. By applying GW as perturbation to the ground state of the fictitious,…
The spectral properties of itinerant 2D systems with (nearly) ferromagnetic ground state are studied within the spin-fermion and the classical s-d exchange models. While the former model describes the effect of collective magnetic…
We analyze the Mott transition in multi-band Hubbard models with the inclusion of multiplet exchange splittings as it arises in infinite dimensions by using the generalized Gutzwiller wave-function introduced by B\"unemann, Weber and…
It is believed that strong ferromagnetic orders in some solids are generated by subtle interplay between quantum many-body effects and spin-independent Coulomb interactions between electrons. Here we describe our rigorous and constructive…
Two-dimensional moire superlattices have recently emerged as a fertile ground for creating novel electronic phases of matter with unprecedented control. Despite intensive efforts, theoretical investigation of correlated moire systems has…
The properties of the strongly interacting edge states of two dimensional topological insulators in the presence of two particle backscattering are investigated. We find an anomalous behavior of the density-density correlation functions,…
The anti-Stoner excitations are a spin-flips in which, effectively, an electron is promoted from a minority to a majority spin state, i.e., complementary to Stoner excitations and spin-waves. Since their spectral power is negligible in…
We study strongly correlated superconductivity in magic-angle twisted bilayer graphene (MATBG) using variational Gutzwiller wavefunction where the Gutzwiller projector $\hat{P}_{R}$ is allowed to break charge U(1) symmetry to accommodate…
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…
We present the combination of Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) for computing the electron transmission through two-terminals nanoscale devices. The method is then applied to metallic junctions…
An electron is usually considered to have only one form of kinetic energy, but could it have more, for its spin and charge, by exciting other electrons? In one dimension (1D), the physics of interacting electrons is captured well at low…
We compare the classification of the electron bands in graphene, obtained by group theory algebra in the framework of tight-binding model (TBM), with that calculated in the density-functional theory (DFT) framework. Identification in the…
We use spin-density-functional theory to study the spacing between conductance peaks and the ground-state spin of 2D model quantum dots with up to 200 electrons. Distributions for different ranges of electron number are obtained in both…