Related papers: Extended Hubbard model with renormalized Wannier w…
We consider a modified extended Hubbard model (EHM) which, in addition to the on-site repulsion U and nearest-neighbor repulsion V, includes polarization effects in second-order perturbation theory. The model is equivalent to an EHM with…
The ground states of the two-dimensional repulsive Hubbard model are studied within the unrestricted Hartree-Fock (UHF) theory. Magnetic and charge properties are determined by systematic, large-scale, exact numerical calculations, and…
The Hubbard-I approximation is generalized to allow for direct evaluation of the equal-time anomalous two-electron propagator for Hubbard model on two-dimensional square lattice. This propagator is compared against the quantum Monte Carlo…
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)…
The Hubbard-Holstein model is one of the central models that describe the competition between electron-electron and electron-phonon interactions. In one dimension and at half-filling, the interplay between an electronic spin-density wave…
The electronic structure of solids can routinely be calculated by standard methods like density functional theory. However, in complicated situations like interfaces, grain boundaries or contact geometries one needs to resort to more…
We investigate the modulational instability of uniform wave packets governed by a discrete third-order nonlinear Schr\"odinger equation in finite square lattices, modeling light propagation in two-dimensional nonlinear waveguide arrays. We…
Mobility edge transitions from localized to extended states have been observed in two and three dimensional systems, for which sound theoretical explanations have also been derived. One-dimensional lattice models have failed to predict…
We consider a model Hamiltonian for a dimer including all the electronic one- and two-body terms consistent with a single orbital per site, a free Einstein phonon term, and an electron-phonon coupling of the Holstein type. The bare…
We investigate the interplay of band structure topology and localization properties of Wannier functions. To this end, we extend a recently proposed compressed sensing based paradigm for the search for maximally localized Wannier functions…
The spinless Falicov-Kimball model on the simple cubic lattice is analyzed in the Hubbard-I and dynamical mean field (DMFT) approximations. The Matsubara and real frequency itinerant electron Green's functions, the evolution of the system…
We present studies of the atomic limit of the extended Hubbard model with pair hopping for arbitrary electron density and arbitrary chemical potential. The Hamiltonian consists of (i) the effective on-site interaction $U$ and (ii) the…
We take a critical view at the basic definition of extended single particle states in a non-translationally invariant system. For this, we present the case of a hierarchical lattice and incorporate long range interactions that are also…
The extrapolation of small-cluster exact-diagonalization calculations is used to examine ferromagnetism in the one-dimensional Hubbard model with long-range and correlated hopping. It is found that the correlated hopping term stabilizes the…
A novel hybrid scheme is proposed. The {\it ab initio} LDA calculation is used to construct the Wannier functions and obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the…
We show that the interband dynamics in a tilted two-band Bose-Hubbard model can be reduced to an analytically accessible spin model in the case of resonant interband oscillations. This allows us to predict the revival time of these…
Tight-binding single-particle models on simple Bravais lattices in space dimension $d \geq 2$, when exposed to commensurate DC fields, result in the complete absence of transport due to the formation of Wannier--Stark flatbands [Phys. Rev.…
Momentum dependent local-ansatz wavefunction approach (MLA) to the correlated electron systems in solids has been further developed to solve best a self-consistent equation for variational parameters at non half-filling. With use of the…
We developed a semiclassical approximation method in combination with an adaptive moment estimation optimizer (SCA + ADAM) approach based on the PyTorch plus CUDA library on a the graphics processing unit (GPU). This method was employed to…
Finite strips, composed of a periodic stacking of infinite quasiperiodic Fibonacci chains, have been investigated in terms of their electronic properties. The system is described by a tight binding Hamiltonian. The eigenvalue spectrum of…