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Register a new userReal-space variational Gutzwiller wave functions for the Anderson-Hubbard model
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Partially-projected Gutzwiller variational wavefunctions are used to describe the ground state of disordered interacting systems of fermions. We compare several different variational ground states with the exact ground state for disordered one-dimensional chains, with the goal of determining a minimal set of variational parameters required to accurately describe the spatially-inhomogeneous charge densities and spin correlations. We find that, for weak and intermediate disorder, it is sufficient to include spatial variations of the charge densities in the product state alone, provided that screening of the disorder potential is accounted for. For strong disorder, this prescription is insufficient and it is necessary to include spatially inhomogeneous variational parameters as well.
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A simple and commonly employed approximate technique with which one can examine spatially disordered systems when strong electronic correlations are present is based on the use of real-space unrestricted self-consistent Hartree-Fock wave functions. In such an approach the disorder is treated exactly while the correlations are treated approximately. In this report we critique the success of this approximation by making comparisons between such solutions and the exact wave functions for the Anderson-Hubbard model. Due to the sizes of the complete Hilbert spaces for these problems, the comparisons are restricted to small one-dimensional chains, up to ten sites, and a 4x4 two-dimensional cluster, and at 1/2 filling these Hilbert spaces contain about 63,500 and 166 million states, respectively. We have completed these calculations both at and away from 1/2 filling. This approximation is based on a variational approach which minimizes the Hartree-Fock energy, and we have completed comparisons of the exact and Hartree-Fock energies. However, in order to assess the success of this approximation in reproducing ground-state correlations we have completed comparisons of the local charge and spin correlations, including the calculation of the overlap of the Hartree-Fock wave functions with those of the exact solutions. We find that this approximation reproduces the local charge densities to quite a high accuracy, but that the local spin correlations, as represented by < S_i . S_j >, are not as well represented. In addition to these comparisons, we discuss the properties of the spin degrees of freedom in the HF approximation, and where in the disorder-interaction phase diagram such physics may be important.
In this work we analyze the variational problem emerging from the Gutzwiller approach to strongly correlated systems. This problem comprises the two main steps: evaluation and minimization of the ground state energy $W$ for the postulated Gutzwiller Wave Function (GWF). We discuss the available methods for evaluating $W$, in particular the recently proposed diagrammatic expansion method. We compare the two existing approaches to minimize $W$: the standard approach based on the effective single-particle Hamiltonian (EH) and the so-called Statistically-consistent Gutzwiller Approximation (SGA). On the example of the superconducting phase analysis we show that these approaches lead to the same minimum as it should be. However, the calculations within the SGA method are easier to perform and the two approaches allow for a simple cross-check of the obtained results. Finally, we show two ways of solving the equations resulting from the variational procedure, as well as how to incorporate the condition for a fixed number of particles.
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) 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, delta, t) and a determination of the kinetic-energy driven pairing region. SC states appear only for substantial interactions, U/t > 3, and for not too large hole doping, delta < 0.32 for t = 0.25 t; 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 $d_{x^2-y^2}$-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.
We study Gutzwiller-correlated wave functions as variational ground states for the two-impurity Anderson model (TIAM) at particle-hole symmetry as a function of the impurity separation ${bf R}$. Our variational state is obtained by applying the Gutzwiller many-particle correlator to a single-particle product state. We determine the optimal single-particle product state fully variationally from an effective non-interacting TIAM that contains a direct electron transfer between the impurities as variational degree of freedom. For a large Hubbard interaction $U$ between the electrons on the impurities, the impurity spins experience a Heisenberg coupling proportional to $V^2/U$ where $V$ parameterizes the strength of the on-site hybridization. For small Hubbard interactions we observe weakly coupled impurities. In general, for a three-dimensional simple cubic lattice we find discontinuous quantum phase transitions that separate weakly interacting impurities for small interactions from singlet pairs for large interactions.
We have obtained the exact ground state wave functions of the Anderson-Hubbard model for different electron fillings on a 4x4 lattice with periodic boundary conditions - for 1/2 filling such ground states have roughly 166 million states. When compared to the uncorrelated ground states (Hubbard interaction set to zero) we have found strong evidence of the very effective screening of the charge homogeneities due to the Hubbard interaction. We have successfully modelled these local charge densities using a non-interacting model with a static screening of the impurity potentials. In addition, we have compared such wave functions to self-consistent real-space unrestricted Hartree-Fock solutions and have found that these approximate ground state wave functions are remarkably successful at reproducing the local charge densities, and may indicate the role of dipolar backflow in producing a novel metallic state in two dimensions.
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