Related papers: Hubbard-U Band-Structure Methods
We apply the approximate analytic methods to the investigation of the band structure of the asymmetric Hubbard model where the chemical potentials and electron transfer parameters depend on the electron spin (type of quasiparticles). The…
We present a theory of the superfluid weight in multiband attractive Hubbard models within the Bardeen-Cooper-Schrieffer (BCS) mean field framework. We show how to separate the geometric contribution to the superfluid weight from the…
The Hubbard on-site repulsion $U$ between opposite spin electrons on the same atomic orbital is widely regarded to be the most important source of electronic correlation in solids. Here we extend the Hubbard model to account for the fact…
The density functional theory (DFT)+$U$ method is a pragmatic and effective approach for calculating the ground-state properties of strongly-correlated systems, and linear response calculations are widely used to determine the requisite…
The group theoretical treatment of bound and scattering state problems is extended to include band structure. We show that one can realize Hamiltonians with periodic potentials as dynamical symmetries, where representation theory provides…
A self-energy-functional approach is applied to construct cluster approximations for correlated lattice models. It turns out that the cluster-perturbation theory (Senechal et al, PRL 84, 522 (2000)) and the cellular dynamical mean-field…
Recent studies of electrical transport, both theoretical and experimental, near the bandwidth-tuned Mott metal-insulator transition have uncovered apparent quantum critical scaling of the electrical resistivity at elevated temperatures,…
Introducing low-energy effective Hamiltonians is usual to grasp most correlations in quantum many-body problems. For instance, such effective Hamiltonians can be treated at the mean-field level to reproduce some physical properties of…
We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…
Dynamical correlations and non-local contributions beyond static mean-field theories are of fundamental importance for describing the electronic structure of correlated metals. Their effects are usually described with many-body approaches…
A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is…
A perturbative model is studied for the tunneling of many-particle states from the ground band to the first excited energy band, mimicking Landau-Zener decay for ultracold, spinless atoms in quasi-one dimensional optical lattices subjected…
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…
The electron-phonon interaction plays a crucial role in many fields of physics and chemistry. Nevertheless, its actual calculation by means of modern many-body perturbation theory is weakened by the use of model Hamiltonians that are based…
We present an embedding approach based on localized basis functions which permits an efficient application of the dynamical mean field theory (DMFT) to inhomogeneous correlated materials, such as semi-infinite surfaces and heterostructures.…
The degrees of freedom that confer to strongly correlated systems their many intriguing properties also render them fairly intractable through typical perturbative treatments. For this reason, the mechanisms responsible for these…
Transition-metal centers are the active sites for many biological and inorganic chemical reactions. Notwithstanding this central importance, density-functional theory calculations based on generalized-gradient approximations often fail to…
We use cellular dynamical mean-field theory with extended unit cells to study the ground state of the two-dimensional repulsive Hubbard model at finite doping. We calculate the energy of states with d-wave superconductivity coexisting with…
Electronic behavior of a 1D Aubry chain with Hubbard interaction is critically analyzed in presence of electric field. Multiple energy bands are generated as a result of Hubbard correlation and Aubry potential, and, within these bands…
One of the most challenging problems in solid state systems is the microscopic analysis of electronic correlations. A paramount minimal model that encodes correlation effects is the Hubbard Hamiltonian, which -- albeit its simplicity -- is…