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arXiv:cond-mat/9712184 · Physical review. B, Condensed matter

Hubbard model on d− dimensional hypercubes: Exact solution for the two-electron case

Michel Caffarel, Rémy Mosseri

Published May 15, 1998• 10 citations
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Abstract

The Hubbard model is exactly solved for two particles on $d\ensuremath{-}$dimensional hypercubes. It is shown that the spectrum can be separated into two parts: a trivial ($U$-independent) part resulting from symmetries of hypercubes and a nontrivial part expressed as a single-impurity problem on a set of finite chains of size ${d}^{\ensuremath{'}}+1$ ${(d}^{\ensuremath{'}}<~d).$ The exact expression for the one-particle Green's function is given. Finally, we discuss the extension of these results to standard hypercubic lattices with periodic boundary conditions.

DOI
10.1103/physrevb.57.r12651

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The Hubbard model is exactly solved for two particles on d\ensuremath−d\ensuremath{-}d\ensuremath−dimensional hypercubes. It is shown that the spectrum can be separated into two parts: a trivial (UUU-independent) part resulting from symmetries of hypercubes and a nontrivial part expressed as a single-impurity problem on a set of finite chains of size d\ensuremath′+1{d}^{\ensuremath{'}}+1d\ensuremath′+1 (d\ensuremath′< d).{(d}^{\ensuremath{'}}<~d).(d\ensuremath′< d). The exact expression for the one-particle Green's function is given. Finally, we discuss the extension of these results to standard hypercubic lattices with periodic boundary conditions.
A density-functional theory for many-body lattice models is considered in which the single-particle density matrix ${\ensuremath{\gamma}}_{\mathrm{ij}}$ is the basic variable. Eigenvalue equations are derived for solving Levy's constrained search of the interaction energy functional $W[{\ensuremath{\gamma}}_{\mathrm{ij}}].$ $W[{\ensuremath{\gamma}}_{\mathrm{ij}}]$ is expressed as the sum of Hartree-Fock energy ${E}_{\mathrm{HF}}[{\ensuremath{\gamma}}_{\mathrm{ij}}]$ and the correlation energy ${E}_{C}[{\ensuremath{\gamma}}_{\mathrm{ij}}].$ Exact results are obtained for ${E}_{C}({\ensuremath{\gamma}}_{12})$ of the Hubbard model on various periodic lattices, where ${\ensuremath{\gamma}}_{\mathrm{ij}}={\ensuremath{\gamma}}_{12}$ for all nearest neighbors i and j. The functional dependence of ${E}_{C}({\ensuremath{\gamma}}_{12})$ is analyzed by varying the number of sites Na,{N}_{a},Na​, band filling Ne,{N}_{e},Ne​, and lattice structure. The infinite one-dimensional chain and one-, two-, or three-dimensional finite clusters with periodic boundary conditions are considered. The properties of ${E}_{C}({\ensuremath{\gamma}}_{12})$ are discussed in the limits of weak $({\ensuremath{\gamma}}_{12}\ensuremath{\simeq}{\ensuremath{\gamma}}_{12}^{0})$ and strong $({\ensuremath{\gamma}}_{12}\ensuremath{\simeq}{\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}})$ electronic correlations, and in the crossover region $({\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}}<~{\ensuremath{\gamma}}_{12}<~{\ensuremath{\gamma}}_{12}^{0}).$ Using an appropriate scaling we observe that ${\ensuremath{\varepsilon}}_{C}{(g}_{12}{)=E}_{C}{/E}_{\mathrm{HF}}$ has a pseudo-universal behavior as a function of ${g}_{12}=({\ensuremath{\gamma}}_{12}\ensuremath{-}{\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}})/({\ensuremath{\gamma}}_{12}^{0}\ensuremath{-}{\ensuremath{\gamma}}_{12}^{\ensuremath{\infty}}).$ The fact that ${\ensuremath{\varepsilon}}_{C}{(g}_{12})$ depends weakly on Na,{N}_{a},Na​, Ne,{N}_{e},Ne​, and lattice structure suggests that the correlation energy of extended systems could be obtained quite accurately from finite-cluster calculations. Finally, the behaviors of ${E}_{C}({\ensuremath{\gamma}}_{12})$ for repulsive (U>0)(U>0)(U>0) and attractive (U<0)(U<0)(U<0) interactions are contrasted.
Exact solutions of the Hubbard model and the periodic Anderson model in the limit of infinite interaction strength are presented. Both models are studied on a D-dimensional decorated hypercubic lattice with periodic boundary conditions for any dimension D\ensuremath{\ge}2 and arbitrary size. The lattice is very similar to the perovskite lattice. In addition to the ground-state energy, a corresponding eigenstate is constructed. This ground state contains at least two particles per unit cell. For the Anderson model, the exact solution is restricted to a surface in the (Ef{\mathit{E}}_{\mathit{f}}Ef​,V) parameter space; however, the resulting relation V(Ef{\mathit{E}}_{\mathit{f}}Ef​) does not lead to unphysical parameters.
The one-dimensional attractive Hubbard model (U 0) is discussed for the chains of N nodes and the same number of electrons, where N -1 of them have the same spin projection, assuming periodic boundary conditions and the half-lling case.Based on the analysis of the eigenvalue problem we provided the general analytical expression for the eigenvalues, for any number N .This formula implies the existence of two elementary particles with mutually dependent momenta on the ring with N sites the same number of electrons including N -1 of the same spin projection.
In this work we solve a general Hubbard Hamiltonian for two interacting particles in a periodic and nonperiodic infinite one-dimensional lattice, using a real-space mapping method, the renormalized perturbation expansion (RPE), and the Green-function technique. This Hamiltonian considers a general bond-charge interaction, the on-site interaction, and the general intersite interaction. The real-space method is based on mapping the correlated many-body problem onto an equivalent site- and bond-impurity tight-binding problem in a higher-dimensional space. Analyzing the periodic and the quasiperiodic lattices in this new space, we obtained the analytical solution for the binding condition at the ground state. Our general results for the periodic chain reproduce completely the limit cases of the numerical solution obtained previously and those obtained in reciprocal space
An exact analytical diagonalization is used to solve the two-dimensional extended Hubbard model (EHM) for a system with finite size. We have considered an EHM including on-site and off-site interactions with interaction energies U and V , respectively, for a square lattice containing 4 × 4 sites at one-eighth filling with periodic boundary conditions, recently treated by Kovacs and Gulacsi (2006 Phil. Mag. 86 2073). Taking into account the symmetric properties of this square lattice and using a translation linear operator, we have constructed a r-space basis only with 85 state-vectors which describe all possible distributions for four electrons in the 4 × 4 square lattice. The diagonalization of the 85 × 85 matrix energy allows us to study the local properties of the above system as a function of the on-site and off-site interactions energies, where we have shown that the off-site interaction encourages the existence of the double occupancies at the first excited state and induces a supplementary conductivity of the system.
We present results on the thermodynamic quantities, resistivity, and optical conductivity for the Hubbard model on a simple hypercubic lattice in infinite dimensions. Our results for the paramagnetic phase display the features expected from an intuitive analysis of the one-particle spectra and substantiate the similarity of the physics of the Hubbard model to those of heavy-fermion systems. The calculations were performed using an approximate solution to the single-impurity Anderson model, which is the key quantity entering the solution of the Hubbard model in this limit. To establish the quality of this approximation we compare its results, together with those obtained from two other widely used methods, to essentially exact quantum Monte Carlo results.