Related papers: Ab initio Derivation of Low-Energy Model for Alkal…
We present single-particle and thermodynamic properties of the half-filled single-band Hubbard model in 2D calculated in the self-consistent fluctuation exchange approximation. The low-energy excitations at moderate temperatures and small…
We investigate an extended version of the periodic Anderson model (the so-called periodic Anderson-Hubbard model) with the aim to understand the role of interaction between conduction electrons in the formation of the heavy-fermion and…
The Heisenberg antiferromagnet, which arises from the large $U$ Hubbard model, is investigated on the $C_{60}$ molecule and other fullerenes. The connectivity of $C_{60}$ leads to an exotic classical ground state with nontrivial topology.…
We check the accuracy of the constrained random phase approximation (cRPA) downfolding scheme by considering one-dimensional two- and three-orbital Hubbard models with a target band at the Fermi level and one or two screening bands away…
Stability of power networks is an increasingly important topic because of the high penetration of renewable distributed generation units. This requires the development of advanced (typically model-based) techniques for the analysis and…
The Hubbard model underlies our understanding of strongly correlated materials. While its standard form only comprises interaction between particles at the same lattice site, its extension to encompass long-range interaction, which…
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 apply the recently introduced Hubbard model approach to quantitatively describe the experimental charge stability diagram and tunnel coupling of silicon double quantum dot systems. The results calculated from both the generalized Hubbard…
We present an efficient numerical method for simulating the low-energy properties of disordered many-particle systems. The method which is based on the quantum-chemical configuration interaction approach consists in diagonalizing the…
We study how well magnetic models can be implemented with ultracold bosonic atoms of two different hyperfine states in an optical superlattice. The system is captured by a two-species Bose-Hubbard model, but realizes in a certain parameter…
In this paper the two dimensional extended Hubbard model with intersite magnetic Ising-like interaction in the atomic limit is analyzed by means of the classical Monte Carlo method in the grand canonical ensemble. Such an effective simple…
Based on extensions of the grand-canonical Quantum Monte-Carlo algorithm to incorporate magnetic fields, we provide numerical data confirming the existence of a Kosterlitz-Thouless transition in the attractive Hubbard model. Here, we…
Electronic correlations in the ground state of an idealized infinite-layer high-Tc compound are computed using the ab-initio method of local ansatz. Comparisons are made with the local-density approximation (LDA) results, and the…
We consider a symplectic extrapolation of the Hubbard model of N fold replicated electrons and solve this model exactly in two special cases, at N=infinity in the bosonic sector and for any N on a dimer of two points. At N=infinity we find…
We consider a half-filled system of spin-1/2 fermions on a triangular ladder with spin-dependent hopping in the presence of spin-dependent flux. Using the Schrieffer-Wolff transformation, we derive an effective spin Hamiltonian describing…
We study magnetic, transport and thermodynamic properties of the half-filled two-dimensional ($2D$) Hubbard model with layered distributed repulsive interactions using unbiased finite temperature quantum Monte Carlo simulations.…
We incorporate explicit, non-perturbative treatment of spin-orbit coupling into ab initio auxiliary-field quantum Monte Carlo (AFQMC) calculations. The approach allows a general computational framework for molecular and bulk systems in…
In this paper, we study the Hubbard model with intersite Coulomb interaction in the ionic limit (i.e. no kinetic energy). It is shown that this model is isomorphic to the spin-1 Ising model in presence of a crystal field and an external…
Using the strong coupling diagram technique, we calculate the zero-temperature density of states $\rho$ of electrons on a square lattice immersed in a perpendicular uniform magnetic field. The electrons are described by Hubbard Hamiltonian.…
A method is proposed to improve the accuracy of approximate techniques for strongly correlated electrons that use reduced Hilbert spaces. As a first step, the method involves a change of basis that incorporates exactly part of the short…