Related papers: Deriving the one-electron Spectral Function for th…
In this work we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the…
The singular value decomposition technique is used to reconstruct the electronic spectral weight function for a half-filled Hubbard model with on-site repulsion $U=4t$ from Quantum Monte Carlo data. A two-band structure for the…
By utilizing the twisted boundary conditions in the exact diagonalization method, we investigate the single-particle spectral function of the extended Peierls-Hubbard model at both half-filling and quarter filling. In one-dimensional (1D)…
In this paper we study the dominant microscopic processes that generate nearly the whole one-electron removal and addition spectral weight of the one-dimensional Hubbard model for all values of the on-site repulsion $U$. We find that for…
In contrast with the 3D result, the Beth-Uhlenbeck (BU) formula in 1D contains an extra -1/2 term. The origin of this -1/2 term is explained using a spectral density approach. To be explicit, a delta-function potential is used to show that…
This paper is part of a broader study whose main goal is the study of the finite-energy spectral properties of the non-perturbative one-dimensional (1D) Hubbard model and the evaluation of finite-energy correlation-function expressions.…
The spectral properties of the 1-D Hubbard model are obtained from quantum Monte Carlo simulations using the maximum entropy method. The one-particle excitations are characterized by dispersive cosine-like bands. Velocities for spin- and…
In electronic structure methods based on the correction of approximate density-functional theory (DFT) for systematic inaccuracies, Hubbard $U$ parameters may be used to quantify and amend the self-interaction errors ascribed to selected…
A self-consistent spectral density approach (SDA) is applied to the Hubbard model to investigate the possibility of spontaneous ferro- and antiferromagnetism. Starting point is a two-pole ansatz for the single-electron spectral density, the…
By exactly analyzing the spin-1/2 Luttinger liquid (LL) and numerically solving a model of a mobile impurity electron in the LL, we obtain the one-electron spectral function $A(p,\omega)$ in a one-dimensional (1D) metal in an entire range…
The momentum, fermionic density, spin density, and interaction dependencies of the exponents that control the (momentum-energy)-plane singular features of the one-fermion spectral functions of a one-dimensional gas of spin-1/2 fermions with…
We derive analytical expressions for the spectral moments of the dynamical response functions of the Hubbard model using the high-temperature series expansion. We consider generic dimension $d$ as well as the infinite-$d$ limit, arbitrary…
We calculate the photoemission spectral function of the one-dimensional Hubbard model away from half filling using the dynamical density matrix renormalization group method. An approach for calculating momentum-dependent quantities in…
Using a recently developed perturbative approach, which considers Hubbard operators as fundamental excitations, we have performed electronic self-energy and spectral function calculations for the $t-J$ model on the square lattice. We have…
The spectral functions of the one-band half-filled 1D Hubbard chain are calculated using the exchange-correlation potential formalism developed recently. The exchange-correlation potential is adopted from the exact potential derived from…
We present in full detail a newly developed formalism enabling density functional perturbation theory (DFPT) calculations from a DFT+$U$ ground state. The implementation includes ultrasoft pseudopotentials and is valid for both insulating…
Density-functional perturbation theory (DFPT) is nowadays the method of choice for the accurate computation of linear and non-linear response properties of materials from first principles. A notable advantage of DFPT over alternative…
In this paper we find that in the thermodynamic limit and for the the ground-state normal-ordered 1D Hubbard model the wave function of excited states contained in few-electron excitations factorizes for all values of the on-site Coulombian…
We construct a new $U(1)$ slave spin representation for the single band Hubbard model in the large-$U$ limit. The mean-field theory in this representation is more amenable to describe both the spin-charge-separation physics of the Mott…
The spectral function of one hole in different magnetic states of the one-dimensional t-J model including three-site term and frustration $J^{\prime}$ is studied. In the strong coupling limit $J \to 0$ (corresponding to $U \to \infty$ of…