We study the superconducting phase of the Hubbard model using the Gutzwiller variational wave function (GWF) and the recently proposed diagrammatic expansion technique (DE-GWF). The DE-GWF method works on the level of the full GWF and in the thermodynamic limit. Here, we consider a finite-size system to study the accuracy of the results as a function of the system size (which is practically unrestricted). We show that the finite-size scaling used, e.g. in the variational Monte Carlo method can lead to significant, uncontrolled errors. The presented research is the first step towards applying the DE-GWF method in studies of inhomogeneous situations, including systems with impurities, defects, inhomogeneous phases, or disorder.
A systematic diagrammatic expansion for Gutzwiller wavefunctions (DE-GWFs) proposed very recently is used for the description of the superconducting (SC) ground state in the two-dimensional square-lattice t – J model with the hopping electron amplitudes t (and ) between nearest (and next-nearest) neighbors. For the example of the SC state analysis we provide a detailed comparison of the methodʼs results with those of other approaches. Namely, (i) the truncated DE-GWF method reproduces the variational Monte Carlo (VMC) results and (ii) in the lowest (zeroth) order of the expansion the method can reproduce the analytical results of the standard Gutzwiller approximation (GA), as well as of the recently proposed 'grand-canonical Gutzwiller approximation' (called either GCGA or SGA). We obtain important features of the SC state. First, the SC gap at the Fermi surface resembles a wave only for optimally and overdoped systems, being diminished in the antinodal regions for the underdoped case in a qualitative agreement with experiment. Corrections to the gap structure are shown to arise from the longer range of the real-space pairing. Second, the nodal Fermi velocity is almost constant as a function of doping and agrees semi-quantitatively with experimental results. Third, we compare the doping dependence of the gap magnitude with experimental data. Fourth, we analyze the k -space properties of the model: Fermi surface topology and effective dispersion. The DE-GWF method opens up new perspectives for studying strongly correlated systems, as it (i) works in the thermodynamic limit, (ii) is comparable in accuracy to VMC, and (iii) has numerical complexity comparable to that of the GA (i.e., it provides the results much faster than the VMC approach).
Abstract We propose a systematic approach to the systems of correlated electrons, the so-called -DE-GWF method, based on reciprocal-space ( -resolved) diagrammatic expansion of the variational Gutzwiller-type wave function for parametrized models of correlated fermions. The present approach, in contrast to either variational Monte-Carlo (VMC), or the recently developed real-space diagrammatic expansion of the Gutzwiller-type wave function (direct-space DE-GWF technique), is applicable directly in the thermodynamic limit and thus is suitable for describing selected singular features of the wave-vector-dependent quantities. We employ the -DE-GWF method to extract the non-analytic part of the two leading moments of the fermion spectral-density function across the (two-dimensional) Brillouin zone for the Hubbard model and away from the half-filling. Those moments are used to evaluate the nodal quasiparticle velocities and their spectral weights in the correlated superconducting state. The two velocities determined in that manner exhibit scaling with the electron concentration qualitatively different from that obtained earlier for the excited states of the high- T c cuprates within the projected quasi-particle ansatz, and the results are in a very good quantitative agreement with experimental data if interpreted as those characterizing the spectrum below and above the observed kink. We provide a detailed discussion of the two gaps and two excitation branches (two velocities) appearing naturally within our DE-GWF approach. The two separate sets of characteristics distinguish the renormalized quasiparticle states very close to the Fermi surface from the deeper correlated-state properties. Also, an enhancement of the -dependent magnetic susceptibility is shown to contain a spin-fluctuation contribution within our language. Finally, the -DE-GWF approach is compared to both the VMC and real-space DE-GWF results for the cases of Hubbard and t - J - U models.
A systematic diagrammatic expansion for Gutzwiller-wave functions (DE-GWF) is formulated and used for the description of superconducting (SC) ground state in the two-dimensional Hubbard model with electron-transfer amplitudes
t (and ${t}^{\ensuremath{'}}$) between nearest (and next-nearest) neighbors. The method is numerically very efficient and allows for a detailed analysis of the phase diagram as a function of all relevant parameters (
U, $\ensuremath{\delta}$, ${t}^{\ensuremath{'}}$) and a determination of the kinetic-energy driven pairing region. SC states appear only for substantial interactions, $U/t\ensuremath{\gtrsim}3$, and for not too large hole doping, $\ensuremath{\delta}\ensuremath{\lesssim}0.32$ for ${t}^{\ensuremath{'}}=0.25t$; this upper critical doping value agrees well with experiment for the cuprate high-temperature superconductors. We also obtain other important features of the SC state: (i) the SC gap at the Fermi surface resembles ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave only around the optimal doping and the corrections to this state are shown to arise from the longer range of the pairing; (ii) the nodal Fermi velocity is almost constant as a function of doping and agrees quantitatively with the experimental results; (iii) the SC transition is driven by the kinetic-energy lowering for low doping and strong interactions.
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, has a BCS mean-field state with
d-wave symmetry as its reference state. Superconducting order is found for densities
n<1 (but not for
n=1). This resolves a discrepancy between results obtained with the functional renormalization group, which do predict superconducting order for small values of
U, and numerical simulations, which did not find superconductivity for $U\ensuremath{\lesssim}4t$. Both the gap parameter and the order parameter have a domelike shape as a function of
n with a maximum for $n\ensuremath{\approx}0.8$. Expectation values for the energy, the particle number, and the superconducting order parameter are calculated using a linked-cluster expansion up to second order in
U. In this way large systems (millions of sites) can be readily treated and well converged results are obtained. A big size is indeed required to see that the gap becomes very small at half filling and probably tends to zero in the thermodynamic limit, whereas away from half filling a finite asymptotic limit is reached. For a lattice of a given size the order parameter becomes finite only above a minimal coupling strength
Uc. This threshold value decreases steadily with increasing system size, which indicates that superconductivity exists for arbitrarily small
U for an infinite system. For moderately large systems the size dependence is quite irregular, due to variations in level spacings at the Fermi energy. The fluctuations die out if the gap parameter spans several level spacings.
We use a variational Monte Carlo method (VMC) and a quantum Monte Carlo method to study the two-dimensional half-filled Hubbard model. We use the Gutzwiller wave function as a trial wave function in VMC and measure energy, correlation functions, and momentum distribution for lattices up to 12\ifmmode\times\else\texttimes\fi{}12 sites. We then use a Monte Carlo algorithm to study the Hubbard model with the same boundary conditions as in VMC at very low temperatures. By comparing the results from these two methods, we assess the accuracy of the Gutzwiller wave function as a representation of the ground state of the Hubbard model. Major differences are found, implying that the Gutzwiller wave function is not a useful approximation to the ground state of the Hubbard model in two dimensions.