Related papers: Improved Mean-Field Scheme for the Hubbard Model
We study electron correlations in the half-filled Hubbard model on two-dimensional Penrose lattice. Applying the real-space dynamical mean-field theory to large clusters, we discuss how low-temperature properties are affected by the…
Based on a plausible requirement for the ground state density, we introduce a novel one-dimensional (1D) atomic model potential for the 1D simulation of the quantum dynamics of a single active electron atom driven by a strong, linearly…
We calculate ground-state energies and density distributions of Hubbard superlattices characterized by periodic modulations of the on-site interaction and the on-site potential. Both density-matrix renormalization group and…
We investigate an extension of excited state mean-field theory in which the energy expression is augmented with density functional components in an effort to include the effects of weak electron correlations. The approach remains…
We consider the 2D Hubbard model on the honeycomb lattice, as a model for single layer graphene with screened Coulomb interactions; at half filling and weak coupling, we construct its ground state correlations by a convergent multiscale…
We present an implementation of equation of motion coupled-cluster singles and doubles (EOM-CCSD) theory using periodic boundary conditions and a plane wave basis set. Our implementation of EOM-CCSD theory is applied to study $F$-centers in…
We present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the soft-Coulomb interaction based on quantum Monte-Carlo calculations. Results for the ground-state energies and ionization potentials of…
The half-filled extended Hubbard model, in one and two dimensions, is studied by means of the 2-pole approximation within the Composite Operator Method with the aim at improving the possibilities to describe some of the experimental…
We formulate a set of equations that facilitate an exact numerical solution of the Kohn-Sham potential for a finite Hubbard chain with nearest neighbour hopping and arbitrary site potentials. The approach relies on a mapping of the…
We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the…
We investigate the extended Hubbard model as an approximation to the local and spatial entanglement of a one-dimensional chain of nanostructures where the particles interact via a long range interaction represented by a `soft' Coulomb…
At zero temperature, two-site dynamical mean field theory is applied to the Dynamic Hubbard model. The Dynamic Hubbard model describes the orbital relaxation that occurs when two electrons occupy the same site, by using a two-level boson…
In this study, we introduce a novel late-time effective dark energy model characterized by a quadratic equation of state (EoS) and rigorously examine its observational constraints. Initially, we delve into the background dynamics of this…
The one-dimensional half-filled Hubbard model is considered at zero temperature within the cellular dynamical mean-field theory (CDMFT). By the computation of the spectral gap and the energy density with various cluster and bath sizes we…
The study of entanglement in strongly correlated electron systems typically requires knowledge of the reduced density matrix. Here, we apply the parquet dynamical vertex approximation to study the two-site reduced density matrix at varying…
A method for beyond-mean-field calculations based on an energy density functional is described. The main idea is to map the energy surface for the nuclear quadrupole deformation, obtained from an energy density functional at the mean-field…
We compute the frequency dependent conductivity of the two dimensional square lattice Hubbard model at zero temperature as a function of density to second order in the interaction strength, and compare the results to the predictions of…
Charge and spin orderings are studied on the simplest 1D and the 2D square lattice within the generalized Falicov-Kimball model with Hund coupling between localized and itinerant electrons. Using the restricted phase diagrams method (RPDM)…
The dual boson approach [Ann. Phys. 327, 1320 (2012)] provides a means to construct a diagrammatic expansion around the extended dynamical mean-field theory (EDMFT). In this paper, we present the numerical implementation of the approach and…
Ensemble density functional theory (eDFT) is an exact time-independent alternative to time-dependent DFT (TD-DFT) for the calculation of excitation energies. Despite its formal simplicity and advantages in contrast to TD-DFT (multiple…