Related papers: Gutzwiller wavefunction in the three-band Hubbard …
The Gutzwiller wave function for a strongly correlated model can, if supplemented with a long-range Jastrow factor, provide a proper variational description of Mott insulators, so far unavailable. We demonstrate this concept in the…
We investigate the properties of the frustrated underdoped Hubbard model on the square lattice using two complementary approaches, the dynamical cluster extension of dynamical mean field theory, and variational Monte Carlo simulations of…
We investigate the electronic and superconducting properties of a negative-U Hubbard model. For this purpose we evaluate a recently introduced variational theory based on Gutzwiller-correlated BCS wave functions. We find significant…
Using a combined local density functional theory (LDA-DFT) and quantum Monte Carlo (QMC) dynamic cluster approximation approach, the parameter dependence of the superconducting transition temperature Tc of several single-layer hole-doped…
We develop a diagrammatic method for the evaluation of general multi-band Gutzwiller wave functions in finite dimensions. Our approach provides a systematic improvement of the widely used Gutzwiller approximation. As a first application we…
The $d$-$wave$ superconductivity is analyzed within the three-band $d$-$p$ model with the use of the diagrammatic expansion of the Guztwiller wave function method (DE-GWF). The determined stability regime of the superconducting state…
The competition between d-wave superconductivity (SC) and antiferromagnetism (AF) in the high-Tc cuprates is investigated by studying the hole- and electron-doped two-dimensional Hubbard model with a recently proposed variational…
In this tutorial presentation, we give a comprehensive introduction into the Gutzwiller variational approach and its merger with the density functional theory. The merits of this method are illustrated by a discussion of results for…
An appropriate iterative scheme for the minimization of the energy, based on the variational Monte Carlo (VMC) technique, is introduced and compared with existing stochastic schemes. We test the various methods for the 1D Heisenberg ring…
Superconductivity in the Hubbard model on a square lattice near half filling is studied using an optimization (or correlated) variational Monte Carlo method. Second-order processes of the strong-coupling expansion are considered in the wave…
We formulate a multi-band generalisation of the time-dependent Gutzwiller theory. This approach allows for the calculation of general two-particle response functions, which are crucial for an understanding of various experiments in…
Ground state properties of the Hubbard model on a two-dimensional square lattice are studied by the auxiliary-field quantum Monte Carlo method. Accurate results for energy, double occupancy, effective hopping, magnetization, and momentum…
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…
Mechanisms of Mott transitions and dx2-y2-wave superconductivity (SC) are studied in the half-filled-band Hubbard model on square lattices with a diagonal hopping term (t'), using an optimization (or correlated) variational Monte Carlo…
Recent refinements of analytical and numerical methods have improved our understanding of the ground-state phase diagram of the two-dimensional (2D) Hubbard model. Here we focus on variational approaches, but comparisons with both Quantum…
The possibility of superconductivity (SC) in the 2D Hubbard model (2DH) was investigated by means of the variational Monte Carlo method. The energy gain of the d-wave SC state, obtained as the difference of the minimum energy with a finite…
We use a convolutional restricted Boltzmann machine (CRBM) neural network to construct a variational wave function (WF) for the Hubbard model on a square lattice and study it using the variational Monte Carlo (VMC) method. In the wave…
We consider the one-band Hubbard model on the square lattice by using variational and Green's function Monte Carlo methods, where the variational states contain Jastrow and backflow correlations on top of an uncorrelated wave function that…
We discuss electronic properties and their evolution for the linear chain of $H_2$ molecules in the presence of a uniform external force $f$ acting along the chain. The system is described by an extended Hubbard model within a fully…
The two-dimensional Hubbard model is studied for small values of the interaction strength (U of the order of the hopping amplitude t), using a variational ansatz well suited for this regime. The wave function, a refined Gutzwiller ansatz,…