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arXiv:1310.3797

High temperature expansion for dynamical correlation functions in the infinite-U Hubbard Model

Edward Perepelitsky

Published Oct 14, 2013• 0 citations
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Abstract

We develop a diagrammatic approach for calculating the high temperature expansion of dynamic correlation functions, such as the electron Green's function and the time-dependent density-density and spin-spin correlation functions, for the infinite-U Hubbard Model with any number of spin species. The formalism relies on the use of restricted lattice sums, in which distinct vertices of the diagram represent distinct sites on the lattice. We derive a new formula for the restricted lattice sum of a disconnected diagram consisting of several connected components, and use it to prove the linked cluster theorem with respect to "generalized connected diagrams", formed by overlapping the original connected components on the lattice. This enables us to express all quantities as a sum over these generalized connected diagrams. We compute the Green's function to 4th order in βt for the case of m spin species on a d-dimensional hypercube by hand. We take the m\to\infty limit, enabling us to obtain expressions for the Dyson-Mori self-energy to 4th order in βt for the case of an infinite number of spin species. This may have connections to slave boson techniques used for the study of this model. Our approach is computationally more efficient than any used previously for the calculation of the high temperature expansion of dynamic correlation functions, and high order results for both the Green's function and the time-dependent density-density and spin-spin correlation functions shall be presented in a separate paper [25].

DOI
10.48550/arxiv.1310.3797

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We develop a diagrammatic approach for calculating the high temperature expansion of dynamic correlation functions, such as the electron Green's function and the time-dependent density-density and spin-spin correlation functions, for the infinite-U Hubbard Model with any number of spin species. The formalism relies on the use of restricted lattice sums, in which distinct vertices of the diagram represent distinct sites on the lattice. We derive a new formula for the restricted lattice sum of a disconnected diagram consisting of several connected components, and use it to prove the linked cluster theorem with respect to "generalized connected diagrams", formed by overlapping the original connected components on the lattice. This enables us to express all quantities as a sum over these generalized connected diagrams. We compute the Green's function to 4th order in βt for the case of m spin species on a d-dimensional hypercube by hand. We take the m\to\infty limit, enabling us to obtain expressions for the Dyson-Mori self-energy to 4th order in βt for the case of an infinite number of spin species. This may have connections to slave boson techniques used for the study of this model. Our approach is computationally more efficient than any used previously for the calculation of the high temperature expansion of dynamic correlation functions, and high order results for both the Green's function and the time-dependent density-density and spin-spin correlation functions shall be presented in a separate paper [25].
We develop a perturbation expansion in the intersite hopping around the atomic limit of the Hubbard model. It is valid for arbitrary finite temperatures and interaction strengths. Diagrammatic rules that determine the grand-canonical potential and the Green's functions are derived. They reduce the calculation of any finite-order contribution to simple algebra. This opens the way for series extrapolations from computer-aided high-finite-order evaluations. Discrepancies in earlier expansions around the atomic limit are clarified. The present expansion scheme involves only connected diagrams with unrestricted lattice sums. This allows one to perform a vertex renormalization as for the linked-cluster expansion of the Ising model. The renormalized perturbation expansion can be used to construct self-consistent approximations which are automatically exact in the atomic limit. In the limit of high lattice dimensions, only fully two-particle reducible embeddings of diagrams on the lattice contribute. The single-particle properties of the infinite-dimensional Hubbard model reduce to those of independent tight-binding fermions hopping between dressed sites.
In this work, we describe the simplifications to the Extremely Correlated Fermi Liquid Theory (ECFL) \\cite{ECFL, Monster} which occur in the limit of infinite spatial dimensions. In particular, we show that the single-particle electron Green's function G(k) can be written in terms of two momentum-independent self-energies. Moreover, we elucidate the nature of the ECFL \\lambda expansion in the limit of infinite dimensions and carry out this expansion explicitly to O(\\lambda^2). Additionally, we demonstrate the vanishing of vertex corrections to the optical conductivity in general and to each order in \\lambda in the limit of infinite dimensions. We generalize the ECFL formalism to the infinite-U Anderson impurity model (AIM) , and demonstrate a Dynamical Mean-Field Theory (DMFT) like mapping between the ECFL objects of the infinite-dimensional t-J model and the infinite-U AIM, and show that this mapping holds to each order in \\lambda. We compute the spectral function for the AIM to O (\\lambda^2) and make comparisons with results obtained through Numerical Renormalization Group (NRG) computations. Finally, we develop a novel formalism for the high-temperature expansion of dynamical correlation functions in the infinite-U Hubbard model which is more efficient than any used previously and gives results for an arbitrary number of spin species. We use it to calculate the single-particle Green's function G(k) to fourth order in (\\beta t) for m spin-species on a d-dimensional hypercube.
We implement a highly efficient strong-coupling expansion for the Green's function of the Hubbard model. In the limit of extreme correlations, where the onsite interaction is infinite, the evaluation of diagrams simplifies dramatically enabling us to carry out the expansion to the eighth order in powers of the hopping amplitude. We compute the finite-temperature Green's function analytically in the momentum and Matsubara frequency space as a function of the electron density. Employing Padé approximations, we study the equation of state, Kelvin thermopower, momentum distribution function, quasiparticle fraction, and quasiparticle lifetime of the system at temperatures lower than, or of the order of, the hopping amplitude. We also discuss several different approaches for obtaining the spectral functions through analytic continuation of the imaginary frequency Green's function, and show results for the system near half filling. We benchmark our results for the equation of state against those obtained from a numerical linked-cluster expansion carried out to the eleventh order.
The Green’s-function diagrammatic high-density expansion technique for Hubbard’s operators is constructed and applied to the extended Hubbard model. The electron Green’s functions and the band structure of the ground state for arbitrary electron density are calculated in the zeroth-order in 1/z. The phase diagram, staggered magnetic susceptibility and the Néel temperature for the half-filled band case are derived in the first order of the high-density expansion. Connections of the high-density and linked cluster expansions are also discussed.
The novel slave-free (i.e. without slave bosons and fermions) approach to the problem of strong correlations is used in studying the Hubbard (t-J) model, where the self-energy is expressed in terms of charge and spin vertex functions of Hubbard operators. A systematic 1/N expansion (N is the number of spin components) of the self-energy is carried out. In O(1) it gives the same quasiparticle spectrum as the slave boson theory. The next order O(1/N) of the self-energy Σ(k, ω) is calculated exactly by solving analytically the integral equations for the charge and spin vertices. As an example for the feasibility of the proposed method explicit results for Σ(k, ω) are given in the case J=0. Dealing only with observable quantities our method is transparent and easily applicable to models which exclude double occupancy on lattice sites, such as the Anderson model and the Emery model for high temperature superconductors.
We show that mean-field-type symmetry-breaking approximations for correlated fermions can be constructed by performing vertex renormalization (VR) in the linked-cluster expansion, just as for the case of lattice spin models. In the limit of infinite spatial dimensions we sum up exactly the renormalized diagrams for the grand-canonical potential of the Hubbard model and, using the diagrammatic technique for Hubbard operators, we construct explicitly an approximate VR. The procedure leads to a self-consistent symmetry breaking analogous to that of the mean-field theory for spin systems. We present solutions for the case of half-filled energy band. They are valid for arbitrary temperatures and become exact for both large-U limit and for U=0. The antiferromagnetic order parameter is found to have the conventional mean-field form and, in the regime of strong correlations, the obtained critical temperature coincides with the mean-field-theory result for the N\'eel temperature of the effective Heisenberg Hamiltonian.