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arXiv:2202.03366 · Physical review. E

Linked cluster expansions via hypergraph decompositions

Matthias Mühlhauser, Kai Phillip Schmidt

Published Jun 9, 2022• 7 citations
arXivHTMLPDF

Abstract

We propose a hypergraph expansion which facilitates the direct treatment of quantum spin models with many-site interactions via perturbative linked cluster expansions. The main idea is to generate all relevant subclusters and sort them into equivalence classes essentially governed by hypergraph isomorphism. Concretely, a reduced König representation of the hypergraphs is used to make the equivalence relation accessible by graph isomorphism. During this procedure we determine the embedding factor for each equivalence class, which is used in the final resummation in order to obtain the final result. As an instructive example we calculate the ground-state energy and a particular excitation gap of the plaquette Ising model in a transverse field on the three-dimensional cubic lattice.

DOI
10.1103/physreve.105.064110

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We propose a hypergraph expansion which facilitates the direct treatment of quantum spin models with many-site interactions via perturbative linked cluster expansions. The main idea is to generate all relevant subclusters and sort them into equivalence classes essentially governed by hypergraph isomorphism. Concretely, a reduced König representation of the hypergraphs is used to make the equivalence relation accessible by graph isomorphism. During this procedure we determine the embedding factor for each equivalence class, which is used in the final resummation in order to obtain the final result. As an instructive example we calculate the ground-state energy and a particular excitation gap of the plaquette Ising model in a transverse field on the three-dimensional cubic lattice.
Similar to various series expansions that are used to approximate mathematical func- tions, the linked-cluster expansion is an approximation method that allows us to approach the actual values of a very large physical system’s different physical quan- tities by systematically studying smaller systems embedded in this larger system. The main concept in linked-cluster expansion, weight, represents the additional con- tribution to a certain physical quantity by increasing the system size by one unit. These weights are used to eventually build up the result on a larger system. In our case, we focus on the partition function, a quantity that can be used to calculate several essential thermodynamic aspects of the system such as average energy, spe- cific heat, magnetic susceptibility, etc. We study these weights for the Ising and Potts models on a one dimensional lattice and Bethe lattice, with and without an external magnetic field. Previous studies have shown that in the one dimensional Ising model, adding more than two lattice sites to the system does not create any ad- ditional contribution to the partition function (i.e. their weights are all zero), giving us the result for an infinitely large system with just two lattice sites, a remarkable simplification. In our study, we prove that this property holds not only for the Ising model, but also its generalization, the Potts model, and show that it is a result of a spin flip symmetry inherent in the system. In order to test this, we break this symmetry using an externally applied magnetic field and show that in this case, for magnetic dipole energies comparable with the exchange energy between neighboring spins, this special property vanishes.
We introduce a generic scheme to perform nonperturbative linked cluster expansions in long-range ordered quantum phases. Clusters are considered to be surrounded by an ordered reference state leading to effective edge fields in the exact diagonalization on clusters, which break the associated symmetry of the ordered phase. Two approaches, based either on a self-consistent solution of the order parameter or on minimal sensitivity with respect to the ground-state energy per site, are formulated to find the optimal edge field in each NLCE order. Furthermore, we investigate the scaling behavior of the NLCE data sequences towards the infinite-order limit. We apply our scheme to gapped and gapless ordered phases of XXZ Heisenberg models on various lattices and for spins 1/2 and 1 using several types of cluster expansions ranging from a full-graph decomposition, rectangular clusters, up to more symmetric square clusters. It is found that the inclusion of edge fields allows to regularize nonperturbative linked-cluster expansions in ordered phases yielding convergent data sequences. This includes the long-range spin-ordered ground state of the spin-1/2 and spin-1 Heisenberg model on the square and triangular lattice as well as the trimerized valence bond crystal of the spin-1 Heisenberg model on the kagome lattice.
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We consider 1/d1/d1/d expansions for classical spin systems based on the vertex renormalized linked cluster expansion (LCE). The free multiplicities of the LCE graphs on a hypercubic lattice in an arbitrary dimension d are calculated using generating functions. The technique is applied to the Ising model and to a two-component classical lattice gas corresponding to an extended Hubbard model at half filling in the zero-bandwidth limit. We use a resummation of the LCE to generate 1/d1/d1/d expansions for the equation of state and for the critical temperature. The method, which is rather general and applicable to a wide range of models, proves convenient for calculating asymptotic power series expansions in 1/d.1/d.1/d. The vertex renormalized expansion is shown to break down at low temperature in higher order approximations, barring attempts to construct simple approximations that are both self-consistent and exact to some finite order in 1/d.1/d.1/d.
We introduce a white-graph expansion for the method of perturbative continuous unitary transformations when implemented as a linked-cluster expansion. The essential idea behind an expansion in white graphs is to perform an optimized bookkeeping during the calculation by exploiting the model-independent effective Hamiltonian in second quantization and the associated inherent cluster additivity. This approach is shown to be especially well suited for microscopic models with many coupling constants, since the total number of relevant graphs is drastically reduced. The white-graph expansion is exemplified for a two-dimensional quantum spin model of coupled two-leg XXZ ladders.
For arbitrary space dimension ddd, we investigate the quantum phase transitions of two paradigmatic spin models defined on a hypercubic lattice, the coupled-dimer Heisenberg model and the transverse-field Ising model. To this end, high-order linked-cluster expansions for the ground-state energy and the one-particle gap are performed up to order 9 about the decoupled-dimer and high-field limits, respectively. Extrapolations of the high-order series yield the location of the quantum phase transition and the correlation-length exponent $\ensuremath{\nu}$ as a function of space dimension ddd. The results are complemented by 1/d1/d1/d expansions to next-to-leading order of observables across the phase diagrams. Remarkably, our analysis of the extrapolated linked-cluster expansion allows to extract the coefficients of the full 1/d1/d1/d expansion for the phase-boundary location in both models exactly in leading order and quantitatively for subleading corrections.