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arXiv:2609.18918

Graph lattice sums and graph zeta functions for long-range interacting quantum lattice models

Andreas Alexander Buchheit, Andreas Rupp

math.NAcond-mat.str-elmath.NTquant-phSubmitted Sep 16, 2026• Announced Sep 17, 2026• 0 citations
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Abstract

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 $\mathrm{tw}$. Basic blocks admit analytic forms in terms of generalized zeta functions. Series-parallel blocks with $\mathrm{tw}\le 2$ 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 $\mathrm{tw}>2$, 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 $\mathrm{tw}$ 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.

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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$\leq2$) 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.

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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.
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.
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.
Continuum limits are a powerful tool in the study of many-body systems, yet their validity is often unclear when long-range interactions are present. In this paper, we rigorously address this issue and put forth an exact representation of long-range interacting lattices that separates the model into a term describing its continuous analog, the integral contribution, and a term that fully resolves the microstructure, the lattice contribution. For any system dimension, for any lattice, for any power-law interaction, and for linear, nonlinear, and multiatomic lattices, we show that the lattice contribution can be described by a differential operator based on the multidimensional generalization of the Riemann zeta function, namely, the Epstein zeta function. We employ our representation in Fourier space to solve the important problem of long-range interacting unconventional superconductors. We derive a generalized Bardeen-Cooper-Schrieffer gap equation and find emerging exotic phases in two-dimensional superconductors with topological phase transitions. Finally, we utilize nonequilibrium Higgs spectroscopy to analyze the impact of long-range interactions on the collective excitations of the condensate. We show that the interactions can be used to fine tune the Higgs mode's stability, ranging from exponential decay of the oscillation amplitude up to complete stabilization. By providing a unifying framework for long-range interactions on a lattice, both classical and quantum, our research can guide the search for exotic phases of matter across different fields.
Many strongly correlated quantum systems are difficult to study numerically because of the exponential growth of the Hilbert space combined with the failure of numerical methods in important parameter regimes. This includes the long-standing problems of high-temperature superconductivity and frustrated magnetism. A promising solution to this dilemma are quantum simulators, well-controlled (synthetic) quantum systems, emulating model Hamiltonians not only of condensed matter systems, where parameters can be tuned at will and model complexity can be added step by step. This dissertation presents numerical simulation studies that are motivated by quantum simulators. Using large-scale quantum Monte Carlo computer simulations and mean-field theory the semiquantitative ground state phase diagram of a Penning ion trap quantum simulator, realizing a two-dimensional model of quantum magnetism with long-range interactions, is obtained. We study also thermal and quantum phase transitions in one-dimensional transverse-field Ising models with long-range interactions, which exhibit a Kosterlitz-Thouless transition and universality classes with continuously varying critical exponents. The second part of this thesis is concerned with the Fermi-Hubbard model, which has been realized recently with ultracold atoms in optical lattices, both for repulsive and attractive interactions. Equipped with a quantum gas microscope, which allows single-site single-atom detection, these experimental setups can collect histograms of the particle number from repeated projective measurements. This dissertation presents a method to compute such full counting statistics for quadratic operators such as particle number or magnetization in the framework of determinantal quantum Monte Carlo. From an analysis of the full counting statistics of the particle number for different subsystem sizes the size of preformed pairs or Cooper pairs in the attractive Hubbard model is inferred. Furthermore, excellent agreement of the numerically computed probability distribution of the staggered magnetization with a recent quantum gas experiment demonstrates that current experiments are capable of resolving the differences between the Hubbard model and its limiting Heisenberg model. An extensive method section reviews the stochastic series expansion quantum Monte Carlo method for Ising models in a transverse field, which is free of the sign problem for arbitrary interactions, with special emphasis on the efficient simulation of long-range interactions. Also a self-contained introduction to the determinantal quantum Monte Carlo method is provided.
This thesis develops diagrammatic methods for thermodynamic and subsystem quantities of interacting lattice fermions, providing reference calculations for quantum simulators and many-body approximations. I formulate an inverse-flavour expansion about a self-consistent Hartree saddle, enumerate non-Gaussian diagrams, and use a discrete Lehmann representation to integrate selected internal vertices analytically. Density results cover 31 state points of the six-flavour Hubbard model on a 70×7070\times7070×70 lattice at T/t=0.15T/t=0.15T/t=0.15. I generalize combinatorial summation to flavour-dependent propagators and expansion shifts. CoS++ combines partial contractions to obtain connected sums for interaction subsets. A determinant-polynomial sieve evaluates the same sums through local coefficient filters; at ninth order it is 24--25 times faster than the specified CoS baselines in three-flavour dense-random-matrix benchmarks. Thermodynamic applications include a 2048-site honeycomb lattice and a three-flavour square lattice with 1024 sites. For the second Renyi entropy, I derive a fermionic replica path integral and a stable evaluation of its two-time Green functions. The connected-determinant calculation reaches tenth order on a 3×33\times33×3 cluster and ninth order on larger lattices. On 50×5050\times5050×50 sites at (U/t,μ/t,βt)=(3,1,8)(U/t,μ/t,βt)=(3,1,8)(U/t,μ/t,βt)=(3,1,8), the ninth-order continuation at shift α=1.3α=1.3α=1.3 gives S2/Ns=0.06695S_2/N_s=0.06695S2​/Ns​=0.06695 with propagated Monte Carlo uncertainty 3.0×10−53.0\times10^{-5}3.0×10−5. Comparing two expansion shifts at their respective retained orders gives an endpoint difference of 2.6×10−42.6\times10^{-4}2.6×10−4.
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.