Related papers: Effective Coulomb interactions within BEDT-TTF dim…
In this paper, the Slater integrals for a screened Coulomb interaction of the the Yukawa form are calculated and by fitting the Thomas-Fermi wavevector, good agreement is obtained with experiment for the multiplet spectra of $Pr^{3+}$ and…
In this article, we propose an energy functional at the level of DFT+U+V that allows us to compute self-consistently the values of the on-site interaction, Hubbard U and Hund J, as well as the intersite interaction V. This functional…
Spatial distribution of local tunneling conductivity was investigated for deep and shallow impurities on semiconductor surfaces. Non-equilibrium Coulomb interaction and interference effects were taken into account and analyzed theoretically…
We represent the superconducting ceramic compounds by the single band extended Hubbard model. We solve this model for the simultaneous presence of antiferromagnetism and the d-wave superconductivity in the Hartree-Fock (H-F) and in the…
The Breit correction, the finite-light-speed correction for the Coulomb interaction of the electron-electron interaction in $ O \left( 1/ c^2 \right) $, is introduced to density functional theory (DFT) based on the non-relativistic…
A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in condensed matter, materials physics, chemistry, and biology is reviewed. The insights that led to the construction of the Rutgers-Chalmers van der Waals…
We develop a generalization of the Kohn-Sham density functional theory (KS-DFT) + Hubbard $U$ (DFT+$U$) method to the excited-state regime. This has the form of Hubbard $U$ corrected linear-response time-dependent DFT, or `TDDFT+$U$'.…
Using the Lanczos exact-diagonalization and density-matrix renormalization group methods, we study the extended Hubbard model at quarter filling defined on the anisotropic triangular lattice. We focus on charge ordering (CO) phenomena…
Transition-metal compounds represent a fascinating playground for exploring the intricate relationship between structural distortions, electronic properties, and magnetic behaviour, holding significant promise for technological…
A wide variety of experimental platforms, ranging from semiconductor quantum-dot arrays to moir\'e materials, have recently emerged as powerful quantum simulators for studying the Hubbard model and its variants. Motivated by these…
We discuss the role of direct Coulomb interaction on the bulk insulator of the integer quantized Hall effect that bridges the topological insulators and the conductance quantization. We investigate the magneto-transport properties of a…
We present a model for the metal-insulator transition in 2D, observed in the recent years. Our starting point consists of two ingredients only, which are ubiquitous in the experiments: Coulomb interactions and weak disorder spin-orbit…
One-dimensional (1D) electron systems in the presence of Coulomb interaction are described by Luttinger liquid theory. The strength of Coulomb interaction in the Luttinger liquid, as parameterized by the Luttinger parameter K, is in general…
The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…
We propose a quantitative estimate of the charge gap that opens in the one-dimensional dimerized Hubbard model at quarter-filling due to dimerization, which makes the system effectively half--filled, and to repulsion, which induces umklapp…
We study particle-hole instabilities in the framework of the spin-fermion (SF) model. In contrast to previous studies, we assume that adjacent hot spots can overlap due to a shallow dispersion of the electron spectrum in the antinodal…
Correlations between electrons and the effective dimensionality are crucial factors that shape the properties of an interacting electron system. For example, the onsite Coulomb repulsion, U, may inhibit, or completely block the intersite…
We show that the anisotropy of the effective spin model for the dimer Mott insulator phase of $\kappa$-(BEDT-TTF)$_2X$ salts is dramatically different from that of the underlying tight-binding model. Intra-dimer quantum interference results…
We propose a fast impurity solver for the general quantum impurity model based on the perturbation theory around the atomic limit, which can be used in combination with the local density approximation (LDA) and the dynamical mean field…
We study the one- and two- dimensional extended Hubbard model by means of the Composite Operator Method within the 2-pole approximation. The fermionic propagator is computed fully self-consistently as a function of temperature, filling and…