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International Journal of Modern Physics B

INVERSE FORMULATION OF THE GREEN'S FUNCTION THEORY: EXACT SOLUTION FOR THE BETHE LATTICE

Ladislav Šamaj

Published Aug 20, 2001• 1 citation
Publisher

Abstract

We study the tight-binding Hamiltonian H=∑j|j> ∊j<j| + ∑j,k |j>Vjk < k | defined on the Bethe lattice of an arbitrary coordination number; the hopping elements Vjk are nonzero (and constant) only for j,k being the nearest-neighbor sites and the energies ∊j are considered to be site-dependent. The Green's function (z-H)-1 problem is solved explicitly in the inverse form, with diagonal matrix elements {<j | (z-H)-1 | j >} as controlling (prescribed) variables. Namely: (i) the inverse profile relation, i.e. z-∊j versus diagonal matrix elements, is obtained in a local form; (ii) the off-diagonal matrix elements { <j | (z-H)-1 | k >} are shown to exhibit a simple factorization property in terms of the diagonal ones.

DOI
10.1142/s0217979201007130

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We study the tight-binding Hamiltonian H=∑j|j> ∊j<j| + ∑j,k |j>Vjk < k | defined on the Bethe lattice of an arbitrary coordination number; the hopping elements Vjk are nonzero (and constant) only for j,k being the nearest-neighbor sites and the energies ∊j are considered to be site-dependent. The Green's function (z-H)-1 problem is solved explicitly in the inverse form, with diagonal matrix elements {<j | (z-H)-1 | j >} as controlling (prescribed) variables. Namely: (i) the inverse profile relation, i.e. z-∊j versus diagonal matrix elements, is obtained in a local form; (ii) the off-diagonal matrix elements { <j | (z-H)-1 | k >} are shown to exhibit a simple factorization property in terms of the diagonal ones.
We derive an operator identity which relates tight-binding Hamiltonians with arbitrary hopping on the Bethe lattice to the Hamiltonian with nearest-neighbor hopping. This provides an exact expression for the density of states (DOS) of a non-interacting quantum-mechanical particle for any hopping. We present analytic results for the DOS corresponding to hopping between nearest and next-nearest neighbors, and also for exponentially decreasing hopping amplitudes. Conversely it is possible to construct a hopping Hamiltonian on the Bethe lattice for any given DOS. These methods are based only on the so-called distance regularity of the infinite Bethe lattice, and not on the absence of loops. Results are also obtained for the triangular Husimi cactus, a recursive lattice with loops. Furthermore we derive the exact self-consistency equations arising in the context of dynamical mean-field theory, which serve as a starting point for studies of Hubbard-type models with frustration.
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The half-filled Hubbard model on the Bethe lattice with coordination number z=3z=3z=3 is studied using the density-matrix renormalization group (DMRG) method. Ground-state properties such as the energy EEE, average local magnetization $ $, its fluctuations $ - ^2$ and various spin correlation functions $ - $ are determined as a function of the Coulomb interaction strength U/tU/tU/t. The calculated local magnetic moments $ $ increase monotonically with increasing Coulomb repulsion U/tU/tU/t forming an antiferromagnetic spin-density-wave state which matches the two sublattices of the bipartite Bethe lattice. At large U/tU/tU/t, $ $ is strongly reduced with respect to the saturation value 1/2 due to exchange fluctuations between nearest neighbors (NN) spins (∣∣≃0.35| |\simeq 0.35∣∣≃0.35 for U/t→+∞U/t\to +\inftyU/t→+∞). $ - ^2$ shows a maximum for U/t=2.4U/t=2.4U/t=2.4--2.9 which results from the interplay between the usual increase of $ $ with increasing U/tU/tU/t and the formation of important permanent moments $ $ at large U/tU/tU/t. NN sites show antiferromagnetic spin correlations which increase with increasing Coulomb repulsion. In contrast next NN sites are very weakly correlated over the whole range of U/tU/tU/t. The accuracy of the DMRG results is discussed by comparison with tight-binding exact results, independent DMRG calculations for the Heisenberg model and simple first-order perturbation estimates.
Abstract Dedicated to Bernhard Mühlschlegel on the occasion of his 80th birthday We calculate the local Green function for a quantum‐mechanical particle with hopping between nearest and next‐nearest neighbors on the Bethe lattice, where the on‐site energies may alternate on sublattices. For infinite connectivity the renormalized perturbation expansion is carried out by counting all non‐self‐intersecting paths, leading to an implicit equation for the local Green function. By integrating out branches of the Bethe lattice the same equation is obtained from a path integral approach for the partition function. This also provides the local Green function for finite connectivity. Finally, a recently developed topological approach is extended to derive an operator identity which maps the problem onto the case of only nearest‐neighbor hopping. We find in particular that hopping between next‐nearest neighbors leads to an asymmetric spectrum with additional van‐Hove singularities.
The single-band Hubbard Hamiltonian [1] is the simplest model of interacting electrons in a lattice.It was developed by John Hubbard, who introduced the model to take into account the local electronic correlations in narrow energy bands.The model has a kinetic term that allows hopping of electrons between atomic sites and a term that considers the on-site interaction between electrons.This model is largely used in solid state physics to study magnetic properties of solids, insulator-metal transition (Mott transition) and high temperature superconductors.However, this is a problem that has exact analytical solution in a very few limiting cases and must be treated approximately or numerically.In this work, we propose a new methodology to analytically solve the Hubbard Hamiltonian, mapping it into a two-site model (the Hubbard dimer).To obtain the Green's function for the lattice, we employed the cumulant expansion technique, using as a 'seed' the exact two-site Green's function (the atomic method) [2].From the Green's function, we obtained the density of states [DOS] and the occupation numbers as functions of the external parameters of the model, and compared the results with the Hubbard I approximation [1].