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arXiv:2307.10742

High-temperature cluster expansion for classical and quantum spin lattice systems with multi-body interactions

Nguyen Tong Xuan, Roberto Fernández

Published Jul 20, 2023• 0 citations
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Abstract

We develop a novel cluster expansion for finite-spin lattice systems subject to multi-body quantum -- and, in particular, classical -- interactions. Our approach is based on the use of ``decoupling parameters", advocated by Park [34], which relates partition functions with successive additional interaction terms. Our treatment, however, leads to an explicit expansion in a $β$-dependent effective fugacity that permits an explicit evaluation of free energy and correlation functions at small $β$. To determine its convergence region we adopt a relatively recent cluster summation scheme that replaces the traditional use of Kikwood-Salzburg-like integral equations by more precise sums in terms of particular tree-diagrams [2]. As an application we show that our lower bound of the radius of $β$-analyticity is larger than Park's for quantum systems two-body interactions.

DOI
10.48550/arxiv.2307.10742

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Decoherence of a center spin or qubit in a spin bath is essentially determined by the many-body bath evolution. We develop a cluster-correlation expansion (CCE) theory for the spin-bath dynamics relevant to the qubit decoherence problem. A cluster-correlation term is recursively defined as the evolution of a group of bath spins divided by the cluster correlations of all the subgroups. This correlation accounts for the authentic (nonfactorizable) collective excitations within a given group. The bath propagator is the product of all possible cluster correlation terms. For a finite-time evolution as in the qubit decoherence problem, a convergent result can be obtained by truncating the expansion up to a certain cluster size. The two-spin cluster truncation of the CCE corresponds to the pair-correlation approximation developed previously [W. Yao et al., Phys. Rev. B 74, 195301 (2006)]. In terms of the standard linked cluster expansion, a cluster-correlation term is the infinite summation of all the connected diagrams with all and only the spins in the group flip-flopped, and thus the expansion is exact whenever convergence occurs. When the individual contribution of each higher-order correlation term to the decoherence is small (while all the terms combined in product could still contribute substantially), as the usual case for relatively large baths, where the decoherence could complete well within the bath spin flip-flop time, the CCE coincides with the cluster expansion [W. M. Witzel and S. Das Sarma, Phys. Rev. B 74, 035322 (2006)]. For small baths, however, the qubit decoherence may not complete within the bath spin flip-flop time scale and thus individual higher-order cluster correlations could become significant. In such cases, only the CCE converges to the exact coherent dynamics of multispin clusters. We check the accuracy of the CCE in an exactly solvable spin-chain model.
We present a novel algorithm that allows one to obtain temperature dependent properties of quantum lattice models in the thermodynamic limit from exact diagonalization of small clusters. Our numerical linked-cluster approach provides a systematic framework to assess finite-size effects and is valid for any quantum lattice model. Unlike high temperature expansions, which have a finite radius of convergence in inverse temperature, these calculations are accurate at all temperatures provided the range of correlations is finite. We illustrate the power of our approach studying spin models on kagomé, triangular, and square lattices.
We give a simple derivation of a finite cluster expansion for the free energy of a general inhomogeneous lattice system which uses only connected clusters. Two possible ways of defining these clusters are discussed in detail, one most useful for obtaining high-temperature series expansions and another low-temperature expansions. A renormalized finite cluster expansion which uses only multiply connected or star clusters follows from a Legendre transformation on the free energy in which single-site potentials are replaced as independent variables by single-site probability distribution functions. Certain special cases of these results have been known before and successfully used to derive high-temperature series expansions. The relationship of the present approach to the renormalized linked-cluster perturbation expansion used by Wortis and co-workers is discussed, and comparison is also made with the work of Rushbrook and Scoins. Truncations of the renormalized cluster expansion yield closed-form approximations which, except in the critical region, offer a systematic way of improving mean-field theory.
Using the perturbative expansion of the wave function from a single determinantal reference, it is possible to define a genealogical hierarchy of model spaces. The corresponding configuration-interaction matrices are dressed in the frame of intermediate Hamiltonian theory from estimates of the coefficients of the outer space determinants, which may take a coupled cluster (CC) or a perturbative form. The deviations from the additivity of transition energies are taken into account as a modification of coupled-cluster amplitudes, and higher-order exclusion-principle-violating corrections are introduced. The resulting equations relative to the first and second generations are applied to anisotropic Heisenberg Hamiltonians for one-dimensional and square two-dimensional spin lattices. The results show the efficiency of the method, which gives as accurate results with adjacent two-body operators as the traditional CC expansion with local four-body operators. With local four-body operators we obtain results comparable to those obtained with local six-body operators in normal CC treatments. \textcopyright{} 1996 The American Physical Society.
We calculate thermodynamic properties of soft-core lattice bosons with on-site nnn-body interactions using up to twelfth- and tenth-order strong coupling expansion in one- and two-dimensional cubic lattices at zero temperature. Using linked cluster techniques, we show that it is possible to exactly renormalize the two-body interactions for quasiparticle excitations and ground-state energy by resumming the three- and four-body terms in the system, which suggests that all higher-body on-site interactions may be exactly and perturbatively resummed into the two-body terms for similar system observables. The renormalization procedure that we develop is applicable to a broad range of systems analyzable by linked cluster expansions, ranging from perturbative quantum chromodynamics to spin models, giving either an exact or approximate resummation depending on the specific system and properties. Universality at various three-body interaction strengths for the two-dimensional boson Hubbard model is checked numerically.