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arXiv:2609.18761

Exact and fast series expansions for quantum models with long-range interactions

Antonia Duft, Patrick Adelhardt, Jan Alexander Koziol, Andreas A. Buchheit, Kai Phillip Schmidt

cond-mat.str-elcond-mat.stat-mechquant-phSubmitted Sep 16, 2026• Announced Sep 17, 2026• 0 citations• Revised Oct 5, 2026 (v2)
v1 · Sep 16, 2026v2 · Oct 5, 2026
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Abstract

Over the past decade, high-order series expansions based on linked-cluster methods have become an important tool for studying low-energy properties of gapped quantum systems with long-range interactions. We introduce a deterministic framework that removes a central computational bottleneck of this method. Our graph zeta method replaces the costly and statistically noisy Monte Carlo (MC) evaluation of high-dimensional lattice sums by a systematic, high-precision computation that delivers series coefficients within minutes on standard desktop hardware. The full momentum-dependent series is obtained in a single calculation, enabling high-resolution excitation spectra throughout the Brillouin zone. Building on the companion paper [1], the method reformulates graph-embedding sums as graph zeta functions and decomposes them into blocks classified by their treewidth tw. Low-treewidth blocks (tw$\leq2$) admit closed expressions based on Epstein zeta functions, while higher-treewidth blocks (tw$>2$) are evaluated using tensor-network bucket elimination. We benchmark the approach for transverse-field Ising models with power-law interactions in 1d, 2d, and 3d, reproducing previous MC results at a fraction of the computational cost while enabling substantially denser parameter sampling. An open-source implementation makes the method directly applicable to general interactions and large parameter scans. As an application, we compare microscopic interaction models for the stacked quasi-2d transverse-field Ising triangular-lattice antiferromagnet KTmSe$_2$ and find that a model including dipolar interactions best describes existing experimental data. The graph zeta method thus turns high-order linked-cluster expansions into a practical and deterministic tool for fast quantitative momentum-resolved modeling of short- and long-range quantum matter.

Comments
33 pages, 17 figures

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Over the past decade, high-order series expansions based on linked-cluster methods have become an important tool for studying low-energy properties of gapped quantum systems with long-range interactions. We introduce a deterministic framework that removes a central computational bottleneck of this method. Our graph zeta method replaces the costly and statistically noisy Monte Carlo (MC) evaluation of high-dimensional lattice sums by a systematic, high-precision computation that delivers series coefficients within minutes on standard desktop hardware. The full momentum-dependent series is obtained in a single calculation, enabling high-resolution excitation spectra throughout the Brillouin zone. Building on the companion paper [1], the method reformulates graph-embedding sums as graph zeta functions and decomposes them into blocks classified by their treewidth tw. Low-treewidth blocks (tw≤2\leq2≤2) admit closed expressions based on Epstein zeta functions, while higher-treewidth blocks (tw>2>2>2) are evaluated using tensor-network bucket elimination. We benchmark the approach for transverse-field Ising models with power-law interactions in 1d, 2d, and 3d, reproducing previous MC results at a fraction of the computational cost while enabling substantially denser parameter sampling. An open-source implementation makes the method directly applicable to general interactions and large parameter scans. As an application, we compare microscopic interaction models for the stacked quasi-2d transverse-field Ising triangular-lattice antiferromagnet KTmSe2_22​ and find that a model including dipolar interactions best describes existing experimental data. The graph zeta method thus turns high-order linked-cluster expansions into a practical and deterministic tool for fast quantitative momentum-resolved modeling of short- and long-range quantum matter.
Taming the exponential increase of the Hilbert space dimension with system size in the simulation of gapped quantum lattice models is of the highest relevance for understanding and designing exotic quantum materials, where nonlocal interactions are of particular interest. High-order linked-cluster expansions provide access the solution of the eigenvalue problem for the infinite system, yet rely on the computation of high-dimensional oscillatory lattice sums with a graph structure, only approachable with Monte Carlo methods so far. This work resolves this issue, rendering all required graph lattice sums, referred to as graph zeta functions for kernels involving power-laws, computable. The resulting method reduces the evaluation time for state-of-the art series expansions from tenthousands of core-hours to minutes. After factorizing the lattice sum over blocks, each block is evaluated by the cheapest available strategy depending on its treewidth tw\mathrm{tw}tw. Basic blocks admit analytic forms in terms of generalized zeta functions. Series-parallel blocks with tw≤2\mathrm{tw}\le 2tw≤2 can be computed at linear cost in the number of graph nodes and in the size of the momentum grid using a semi-analytical algebra based on Epstein zeta functions and rapidly decaying Fourier series. Finally, for tw>2\mathrm{tw}>2tw>2, the method is combined with tensor-network bucket elimination yielding polynomial scaling of numerical work and memory in momentum grid size with exponents only growing with tw\mathrm{tw}tw rather than with the number of vertices. Through use of FFT, the full momentum grid is recovered at the cost of a single momentum evaluation. We provide a detailed analysis of the precision and runtime of our method against analytic and numerical benchmarks. We further reproduce published Monte Carlo data for the transverse-field Ising model on different 1D, 2D, and 3D lattices, obtaining full agreement.
The sign problem remains a major obstacle to extending the success of Monte Carlo methods to generic quantum many-body systems. A powerful alternative relies on cluster expansions, which provide convergent representations of free energies and related quantities, with applications ranging from tensor network contractions to quantum dynamics and circuits. Within their convergence regime, these expansions often yield deterministic polynomial-time algorithms. However, such methods require exhaustive enumeration of connected clusters, leading to a computational overhead of (Nε−1)O(log⁡Δ)(N\varepsilon^{-1})^{\mathcal{O}(\logΔ)}(Nε−1)O(logΔ), where NNN is the system size, ε\varepsilonε the desired precision, and ΔΔΔ the interaction-graph degree. This becomes particularly severe in long-range systems, where Δ≡NΔ\equiv NΔ≡N, resulting in quasi-polynomial runtimes. Here, we introduce a Markov chain algorithm that samples cluster expansions directly in the space of connected clusters, replacing deterministic enumeration by Monte Carlo sampling. Because sampling occurs in an abstract cluster space rather than a physical configuration space, the conventional exponential sign problem is absent within the convergence regime. For general polymer models, we establish an FPRAS with runtime O~(N4ε−3)\tilde{\mathcal{O}}(N^4\varepsilon^{-3})O~(N4ε−3). For quantum partition functions at temperatures β≤βsampling≡O(1)β\leqβ_{\mathrm{sampling}}\equiv\mathcal{O}(1)β≤βsampling​≡O(1), this improves to O~(N3+1/Dε−3)\tilde{\mathcal{O}}(N^{3+1/D}\varepsilon^{-3})O~(N3+1/Dε−3), where DDD is the lattice dimension. The framework directly applies to long-range quantum systems with interactions ∝1/rα\propto1/r^α∝1/rα, including 222-local models with α>2Dα>2Dα>2D.
Motivated by recent experiments with a Penning ion trap quantum simulator, we perform numerically exact Stochastic Series Expansion quantum Monte Carlo simulations of long-range transverse-field Ising models on a triangular lattice for different decay powers $\ensuremath{\alpha}$ of the interactions. The phase boundary for the ferromagnet is obtained as a function of $\ensuremath{\alpha}$. For antiferromagnetic interactions, there is strong indication that the transverse field stabilizes a clock ordered phase with sublattice magnetization $(M,\ensuremath{-}\frac{M}{2},\ensuremath{-}\frac{M}{2})$ with unsaturated M<1M<1M<1 in a process known as ``order by disorder'' similar to the nearest-neighbor antiferromagnet on the triangular lattice. Connecting the known limiting cases of nearest-neighbor and infinite-range interactions, a semiquantitative phase diagram is obtained. Magnetization curves for the ferromagnet for experimentally relevant system sizes and with open boundary conditions are presented.
Long-range interactions are relevant for a large variety of quantum systems in quantum optics and condensed matter physics. In particular, the control of quantum-optical platforms promises to gain deep insights into quantum-critical properties induced by the long-range nature of interactions. From a theoretical perspective, long-range interactions are notoriously complicated to treat. Here, we give an overview of recent advancements to investigate quantum magnets with long-range interactions focusing on two techniques based on Monte Carlo integration. First, the method of perturbative continuous unitary transformations where classical Monte Carlo integration is applied within the embedding scheme of white graphs. This linked-cluster expansion allows extracting high-order series expansions of energies and observables in the thermodynamic limit. Second, stochastic series expansion quantum Monte Carlo integration enables calculations on large finite systems. Finite-size scaling can then be used to determine the physical properties of the infinite system. In recent years, both techniques have been applied successfully to one- and two-dimensional quantum magnets involving long-range Ising, XY, and Heisenberg interactions on various bipartite and non-bipartite lattices. Here, we summarise the obtained quantum-critical properties including critical exponents for all these systems in a coherent way. Further, we review how long-range interactions are used to study quantum phase transitions above the upper critical dimension and the scaling techniques to extract these quantum critical properties from the numerical calculations.
Working within the Stochastic Series Expansion (SSE) framework, we construct efficient quantum cluster algorithms for transverse field Ising antiferromagnets on the pyrochlore lattice and the planar pyrochlore lattice, for the fully frustrated square lattice Ising model in a transverse field (dual to the 2+1 dimensional odd Ising gauge theory), and for a transverse field Ising model with multi-spin interactions on the square lattice, which is dual to a 2+1 dimensional even Ising gauge theory (and reduces to the two dimensional quantum loop model in a certain limit). Our cluster algorithms use a microcanonical update procedure that generalizes and exploits the notion of "pre-marked motifs" introduced earlier in the context of a quantum cluster algorithm for triangular lattice transverse field Ising antiferromagnets. We demonstrate that the resulting algorithms are significantly more efficient than the standard link percolation based quantum cluster approach. We also introduce a new canonical update scheme that leads to a further improvement in measurement of some observables arising from its ability to make one-dimensional clusters in the "imaginary time" direction. Finally, we demonstrate that refinements in the choice of premarking strategies can lead to additional improvements in the efficiency of the microcanonical updates. As a first example of the physics that can be studied using these algorithmic developments, we obtain evidence for a power-law ordered intermediate-temperature phase associated with the two-step melting of long-range order in the fully frustrated square lattice transverse field Ising model.
The high-temperature series expansion for quantum spin models is a well-established tool to compute thermodynamic quantities and equal-time spin correlations, in particular for frustrated interactions. We extend the scope of this expansion to the dynamic Matsubara spin-spin correlator and develop an algorithm that yields exact expansion coefficients in the form of rational numbers. We focus on Heisenberg models with a single coupling constant J and spin lengths S=1/2,1. The expansion coefficients up to 12th order in J/T are precomputed on all possible ∼106\sim 10^6∼106 graphs embeddable in arbitrary lattices and are provided in a repository. This enables calculation of static momentum-resolved susceptibilities for arbitrary site-pairs or wavevectors. We test our results for the antiferromagnetic S=1/2 chain and triangular lattice model. An important application that we discuss in a companion letter is the calculation of real-frequency dynamic structure factors. This is achieved by identifying the high-frequency expansion coefficients of the Matsubara correlator with frequency moments of the spectral function.