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.
A new analytic approach to the evaluation of ground-state properties of Hubbard-type models in terms of the Gutzwiller variational wave function is presented. It is based on the observation that expectation values in terms of this wave function may be expressed by sums over different lattice sites. This makes the application of Wick's theorem and the resulting contractions extremely simple, since the latter involve only anticommuting numbers as in a Grassmann algebra. Expressions for the momentum distribution ${n}_{\mathrm{k}\ensuremath{\sigma}}$ and the Hubbard interaction in terms of a power series in a particular correlation parameter are derived which are valid for all dimensions. An explicit diagrammatic evaluation of the coefficients is described. In one dimension these coefficients may be determined to all orders which yields an approximation-free calculation of
nk and ground-state energy E for arbitrary density n and interaction strength U. In the case of a half-filled band and large U, hitherto unexpected nonanalyticities are found. The results allow for the first approximation-free assessment of the properties of the Gutzwiller wave function. It is shown that the well-known Gutzwiller approximation may be derived diagrammatically, too. The approximation is seen to yield the exact results for expectation values in terms of this wave function in the limit of infinite dimensionality.
We present analytic results for ground-state properties of Hubbard-type models in terms of the Gutzwiller variational wave function with nonzero values of the magnetization m. In dimension
D=1 approximation-free evaluations are made possible by appropriate canonical transformations and an analysis of umklapp processes. We calculate the double occupation and the momentum distribution, as well as its discontinuity at the Fermi surface, for arbitrary values of the interaction parameter g, density n, and magnetization m. These quantities determine the expectation value of the one-dimensional Hubbard Hamiltonian for any symmetric, monotonically increasing dispersion ${\ensuremath{\epsilon}}_{k}.$ In particular for nearest-neighbor hopping and densities away from half filling the Gutzwiller wave function is found to predict ferromagnetic behavior for sufficiently large interaction U.
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.