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arXiv:1801.00142 · Physical Review X

Exponential Thermal Tensor Network Approach for Quantum Lattice Models

Bin-Bin Chen, Lei Chen, Ziyu Chen, Wei Li, Andreas Weichselbaum

Published Sep 26, 2018• 95 citations
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Abstract

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.

DOI
10.1103/physrevx.8.031082

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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.
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In this Letter we propose a continuous-time thermal tensor network (TTN) approach for efficient simulations of quantum lattice models. The continuous-time TTN method is based on numerically exact Taylor series expansions of equilibrium density operators e−βHe^{-\beta H}e−βH (with HHH the total Hamiltonian and β\betaβ the imaginary time), as well as unitary time-evolution operators e−iHte^{-iHt}e−iHt, and is thus Trotter-error free. We discover, through simulating a typical XXZ spin chain, that not only the Hamiltonian HHH, but also its powers HnH^nHn, 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 series-expansion TTN method provides an alternative to conventional Trotter-Suzuki renormalization group (RG) approaches, and achieves an unprecedented standard of thermal RG simulations in terms of accuracy and flexibility.
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.
Thermal tensor networks constitute an efficient and versatile representation for quantum lattice models at finite temperatures. By Trotter-Suzuki decomposition, one obtains a DDD+1 dimensional TTN for the DDD-dimensional quantum system and then employs efficient renormalizaton group (RG) contractions to obtain the thermodynamic properties with high precision. The linearized tensor renormalization group (LTRG) method, which can be used to contract TTN efficiently and calculate the thermodynamics, is briefly reviewed and then generalized to a bilayer form. We dub this bilayer algorithm as LTRG++ and explore its performance in both finite- and infinite-size systems, finding the numerical accuracy significantly improved compared to single-layer algorithm. Moreover, we show that the LTRG++ algorithm in an infinite-size system is in essence equivalent to transfer-matrix renormalization group method, while reformulated in a tensor network language. As an application of LTRG++, we simulate an extended fermionic Hubbard model numerically, where the phase separation phenomenon, ground-state phase diagram, as well as quantum criticality-enhanced magnetocaloric effects, are investigated.
We have extended the canonical tree tensor network (TTN) method, which was initially introduced to simulate the zero-temperature properties of quantum lattice models on the Bethe lattice, to finite temperature simulations. By representing the thermal density matrix with a canonicalized tree tensor product operator, we optimize the TTN and compute accurately the thermodynamic quantities, including the internal energy, specific heat, spontaneous magnetization, etc., at various temperatures. By varying the anisotropic coupling constant $\mathrm{\ensuremath{\Delta}}$, we obtain the phase diagram of the spin-1/2 Heisenberg XXZ model on the Bethe lattice, where three magnetic ordered phases, namely the ferromagnetic, XY, and antiferromagnetic phases, are found in low temperatures and separated from the high-TTT paramagnetic phase by a continuous thermal phase transition at Tc{T}_{c}Tc​. The XY phase is separated from the other two phases by two first-order phase transition lines at the symmetric coupling points $\mathrm{\ensuremath{\Delta}}=\ifmmode\pm\else\textpm\fi{}1$. We have also carried out a linear spin wave calculation on the Bethe lattice, showing that the low-energy magnetic excitations are always gapped, and find the obtained magnon gaps in very good agreement with those estimated from the TTN simulations. Despite the gapped excitation spectrum, Goldstone-like transverse fluctuation modes, as a manifestation of spontaneous continuous symmetry breaking, are observed in the ordered magnetic phases with $|\mathrm{\ensuremath{\Delta}}|\ensuremath{\le}1$. One remarkable feature there is that the transverse correlation length reaches ${\ensuremath{\xi}}_{c}=1/ln(z\ensuremath{-}1)$ for $T\ensuremath{\le}{T}_{c}$, the maximal value allowed on a zzz-coordinated Bethe lattice.
Strongly correlated quantum systems are one of the most interesting and challenging phenomena in modern condensed matter physics. Unfortunately, the theoretical access even to their low energy properties is limited by the exponential growth of the Hilbert space in a many-body setting. To mitigate this computational barrier, tensor network methods are one of the most competitive approaches to classically simulate complex quantum systems. In this thesis we will discuss recent developments in the field of tensor networks to efficiently and accurately simulate two-dimensional quantum many-body states in the thermodynamic limit. Hereby, we introduce the variational update globally optimizing the wave-function, encoded as tensor network in the form of an infinite projected entangled pair state (iPEPS), in order to obtain ground states of many-body Hamiltonian models. We focus in the discussion on the well-established method to approximately contract this two-dimensional structure, the corner transfer matrix renormalization group (CTMRG), and discuss its native application on square lattice and triangular lattice based models. Furthermore, we report the development of a refined numerical algorithm, the split-CTMRG, to significantly reduce its computational complexity, pushing the limits of feasible simulations within modern hardware capabilities. Finally, the method advancements are applied to a currently widely studied model of frustrated magnetism, the Heisenberg maple-leaf antiferromagnet. We are able to find a large phase of vanishing magnetization in contradiction to previous works and, to the best of our knowledge, the lowest reported variational ground state energy at the isotropic point of the model. As an outlook, we describe a potential adaption of the previously developed methods to variationally simulate two-dimensional many-body thermal states.