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arXiv:2112.01507

Simulating thermal density operators with cluster expansions and tensor networks

Bram Vanhecke, David Devoogdt, Frank Verstraete, Laurens Vanderstraeten

Published Dec 2, 2021• 1 citation
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Abstract

We provide an efficient approximation for the exponential of a local operator in quantum spin systems using tensor-network representations of a cluster expansion. We benchmark this cluster tensor network operator (cluster TNO) for one-dimensional systems, and show that the approximation works well for large real- or imaginary-time steps. We use this formalism for representing the thermal density operator of a two-dimensional quantum spin system at a certain temperature as a single cluster TNO, which we can then contract by standard contraction methods for two-dimensional tensor networks. We apply this approach to the thermal phase transition of the transverse-field Ising model on the square lattice, and we find through a scaling analysis that the cluster-TNO approximation gives rise to a continuous phase transition in the correct universality class; by increasing the order of the cluster expansion we find good values of the critical point up to surprisingly low temperatures.

DOI
10.48550/arxiv.2112.01507

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We provide an efficient approximation for the exponential of a local operator in quantum spin systems using tensor-network representations of a cluster expansion. We benchmark this cluster tensor network operator (cluster TNO) for one-dimensional systems, and show that the approximation works well for large real- or imaginary-time steps. We use this formalism for representing the thermal density operator of a two-dimensional quantum spin system at a certain temperature as a single cluster TNO, which we can then contract by standard contraction methods for two-dimensional tensor networks. We apply this approach to the thermal phase transition of the transverse-field Ising model on the square lattice, and we find through a scaling analysis that the cluster-TNO approximation gives rise to a continuous phase transition in the correct universality class; by increasing the order of the cluster expansion we find good values of the critical point up to surprisingly low temperatures.
We provide an efficient approximation for the exponential of a local operator in quantum spin systems using tensor-network representations of a cluster expansion. We benchmark this cluster tensor network operator (cluster TNO) for one-dimensional systems, and show that the approximation works well for large real- or imaginary-time steps. We use this formalism for representing the thermal density operator of a two-dimensional quantum spin system at a certain temperature as a single cluster TNO, which we can then contract by standard contraction methods for two-dimensional tensor networks. We apply this approach to the thermal phase transition of the transverse-field Ising model on the square lattice, and we find through a scaling analysis that the cluster-TNO approximation gives rise to a continuous phase transition in the correct universality class; by increasing the order of the cluster expansion we find good values of the critical point up to surprisingly low temperatures.
We speed up thermal simulations of quantum many-body systems in both one-(1D) and twodimensional (2D) models in an exponential way by iteratively projecting the thermal density matrix ρ ¼ e -β Ĥ onto itself.We refer to this scheme of doubling β in each step of the imaginary time evolution as the exponential tensor renormalization group (XTRG).This approach is in stark contrast to conventional Trotter-Suzuki-type methods which evolve ρ on a linear quasicontinuous grid in inverse temperature β ≡ 1=T.As an aside, the large steps in XTRG allow one to swiftly jump across finite-temperature phase transitions, i.e., without the need to resolve each singularly expensive phase-transition point right away, e.g., when interested in low-energy behavior.A fine temperature resolution can be obtained, nevertheless, by using interleaved temperature grids.In general, XTRG can reach low temperatures exponentially fast and, thus, not only saves computational time but also merits better accuracy due to significantly fewer truncation steps.For similar reasons, we also find that the series expansion thermal tensor network approach benefits in both efficiency and precision, from the logarithmic temperature scale setup.We work in an (effective) 1D setting exploiting matrix product operators (MPOs), which allows us to fully and uniquely implement non-Abelian and Abelian symmetries to greatly enhance numerical performance.We use our XTRG machinery to explore the thermal properties of Heisenberg models on 1D chains and 2D square and triangular lattices down to low temperatures approaching ground-state properties.The entanglement properties, as well as the renormalization-group flow of entanglement spectra in MPOs, are discussed, where logarithmic entropies (approximately ln β) are shown in both spin chains and squarelattice models with gapless towers of states.We also reveal that XTRG can be employed to accurately simulate the Heisenberg XXZ model on the square lattice which undergoes a thermal phase transition.We determine its critical temperature based on thermal physical observables, as well as entanglement measures.Overall, we demonstrate that XTRG provides an elegant, versatile, and highly competitive approach to explore thermal properties, including finite-temperature thermal phase transitions as well as the different ordering tendencies at various temperature scales for frustrated systems.
We propose a series-expansion thermal tensor network (SETTN) approach for efficient simulations of quantum lattice models. This continuous-time SETTN method is based on the numerically exact Taylor series expansion of the equilibrium density operator ${e}^{\ensuremath{-}\ensuremath{\beta}H}$ (with HHH the total Hamiltonian and $\ensuremath{\beta}$ the imaginary time), and is thus Trotter-error free. We discover, through simulating XXZ spin chain and square-lattice quantum Ising models, that not only the Hamiltonian HHH, but also its powers Hn{H}^{n}Hn, can be efficiently expressed as matrix product operators, which enables us to calculate with high precision the equilibrium and dynamical properties of quantum lattice models at finite temperatures. Our SETTN method provides an alternative to conventional Trotter-Suzuki renormalization-group (RG) approaches, and achieves a very high standard of thermal RG simulations in terms of accuracy and flexibility.
Representing the time-evolution operator as a tensor network constitutes a key ingredient in several algorithms for studying quantum lattice systems at finite temperature or in a non-equilibrium setting. For a Hamiltonian composed of strictly short-ranged interactions, the Suzuki-Trotter decomposition is the main technique for obtaining such a representation. In [B.~Vanhecke, L.~Vanderstraeten and F.~Verstraete, Physical Review A, L020402 (2021)], an alternative strategy, the cluster expansion, was introduced. This approach naturally preserves internal and lattice symmetries and can more easily be extended to higher-order representations or longer-ranged interactions. We extend the cluster expansion to two-dimensional fermionic systems, and employ it to construct projected entangled-pair operator (PEPO) approximations of Gibbs states. We also discuss and benchmark different truncation schemes for multiplying layers of PEPOs together. Applying the resulting framework to a two-dimensional spinless fermion model with attractive interactions, we resolve a clear phase boundary at finite temperature.
Belief propagation (BP) provides a scalable heuristic for contracting tensor networks on loopy graphs, but its success in quantum many-body settings has largely rested on empirical evidence. Developing upon a recently introduced cluster-expansion framework for tensor networks, we rigorously study the applicability of BP to many-body quantum systems. For a state represented as a PEPS satisfying a ``loop-decay" condition, we prove that BP supplemented by cluster corrections approximates local observables with exponentially small relative error, and we give explicit formulas expressing local expectation values as BP predictions dressed by connected clusters intersecting the observable region. This representation establishes a direct link between cluster corrections and physical correlation functions. As a result, we show that ``loop-decay" \emph{necessarily implies} exponential decay of connected correlations, yielding sharp, rigorous criteria for when BP can and cannot succeed, and ruling out its validity at critical points. Numerical simulations of the two- and three-dimensional transverse field Ising model at zero and finite temperature confirm our analytical predictions, demonstrating quantitative accuracy deep in gapped phases and systematic failure near criticality.
Representing the time-evolution operator as a tensor network constitutes a key ingredient in several algorithms for studying quantum lattice systems at finite temperature or in a nonequilibrium setting. For a Hamiltonian composed of strictly short-range interactions, the Suzuki-Trotter decomposition is the main technique for strategy-the cluster expansion. This approach naturally preserves internal and lattice symmetries and can more easily be extended to higher-order representations or longer-range interactions. We extend the cluster expansion to two-dimensional fermionic systems and employ it to construct projected entangled-pair operator (PEPO) approximations of Gibbs states. We also discuss and benchmark different truncation schemes for multiplying layers of PEPOs together. Applying the resulting framework to a two-dimensional spinless fermion model with attractive interactions, we resolve a clear phase boundary at finite temperature.