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تسجيل مستخدم جديدEvaluation techniques for Gutzwiller wave functions in finite dimensions
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We give a comprehensive introduction into a diagrammatic method that allows for the evaluation of Gutzwiller wave functions in finite spatial dimensions. We discuss in detail some numerical schemes that turned out to be useful in the real-space evaluation of the diagrams. The method is applied to the problem of d-wave superconductivity in a two-dimensional single-band Hubbard model. Here, we discuss in particular the role of long-range contributions in our diagrammatic expansion. We further reconsider our previous analysis on the kinetic energy gain in the superconducting state.
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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-dimens
ional 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.
The minimum of the Gutzwiller energy functional depends on the number of parameters considered in the variational state. For a three-orbital Hubbard model we find that the frequently used diagonal Ansatz is very accurate in high-symmetry situations.
For lower symmetry, induced by a crystal-field splitting or the spin-orbit coupling, the discrepancies in energy between the most general and a diagonal Gutzwiller Ansatz can be quite significant. We discuss approximate schemes that may be employed in multi-band cases where a minimization of the general Gutzwiller energy functional is too demanding numerically.
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.
Recent progress in extremely correlated Fermi liquid theory (ECFL) and dynamical mean field theory (DMFT) enables us to compute in the $d to infty$ limit the resistivity of the $t-J$ model after setting $Jto0$. This is also the $U=infty$ Hubbard mode
l. We study three densities $n=.75,.8,.85$ that correspond to a range between the overdoped and optimally doped Mott insulating state. We delineate four distinct regimes characterized by different behaviors of the resistivity $rho$. We find at the lowest $T$ a Gutzwiller Correlated Fermi Liquid regime with $rho propto T^2$ extending up to an effective Fermi temperature that is dramatically suppressed from the non-interacting value. This is followed by a Gutzwiller Correlated Strange Metal regime with $rho propto (T-T_0)$, i.e. a linear resistivity extrapolating back to $rho=0$ at a positive $T_0$. At a higher $T$ scale, this crosses over into the Bad Metal regime with $rho propto (T+T_1)$ extrapolating back to a finite resistivity at $T=0$, and passing through the Ioffe-Regel-Mott value where the mean free path is a few lattice constants. This regime finally gives way to the High $T$ Metal regime, where we find $rho propto T$. The present work emphasizes the first two, where the availability of an analytical ECFL theory is of help in identifying the changes in related variables entering the resistivity formula that accompany the onset of linear resistivity, and the numerically exact DMFT helps to validate the results. We also examine thermodynamic variables such as the magnetic susceptibility, compressibility, heat capacity and entropy, and correlate changes in these with the change in resistivity. This exercise casts valuable light on the nature of charge and spin correlations in the strange metal regime, which has features in common with the physically relevant strange metal phase seen in strongly correlated matters.
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 neares
t (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.
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