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arXiv:1411.6778 · Physical Review B

Projected entangled pair states at finite temperature: Iterative self-consistent bond renormalization for exact imaginary time evolution

Piotr Czarnik, Jacek Dziarmaga

Published Jul 9, 2015• 37 citations
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Abstract

A projected entangled pair state (PEPS) with ancillas can be evolved in imaginary time to obtain thermal states of a strongly correlated quantum system on a two-dimensional lattice. Every application of a Suzuki-Trotter gate multiplies the PEPS bond dimension $D$ by a factor $k$. It has to be renormalized back to the original $D$. In order to preserve the accuracy of the Suzuki-Trotter (ST) decomposition, the renormalization in principle has to take into account full environment made of the new tensors with the bond dimension $k\ifmmode\times\else\texttimes\fi{}D$. Here, we propose a self-consistent renormalization procedure operating with the original bond dimension $D$, but without compromising the accuracy of the ST decomposition. The iterative procedure renormalizes the bond using full environment made of renormalized tensors with the bond dimension $D$. After every renormalization, the new renormalized tensors are used to update the environment, and then the renormalization is repeated again and again until convergence. As a benchmark application, we obtain thermal states of the transverse field quantum Ising model on a square lattice, both infinite and finite, evolving the system across a second-order phase transition at finite temperature.

DOI
10.1103/physrevb.92.035120

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A projected entangled pair state (PEPS) with ancillas can be evolved in imaginary time to obtain thermal states of a strongly correlated quantum system on a two-dimensional lattice. Every application of a Suzuki-Trotter gate multiplies the PEPS bond dimension DDD by a factor kkk. It has to be renormalized back to the original DDD. In order to preserve the accuracy of the Suzuki-Trotter (ST) decomposition, the renormalization in principle has to take into account full environment made of the new tensors with the bond dimension k\ifmmode×\else\texttimes\fiDk\ifmmode\times\else\texttimes\fi{}Dk\ifmmode×\else\texttimes\fiD. Here, we propose a self-consistent renormalization procedure operating with the original bond dimension DDD, but without compromising the accuracy of the ST decomposition. The iterative procedure renormalizes the bond using full environment made of renormalized tensors with the bond dimension DDD. After every renormalization, the new renormalized tensors are used to update the environment, and then the renormalization is repeated again and again until convergence. As a benchmark application, we obtain thermal states of the transverse field quantum Ising model on a square lattice, both infinite and finite, evolving the system across a second-order phase transition at finite temperature.
Time evolution of an infinite two-dimensional (2D) many body quantum lattice system can be described by the Suzuki-Trotter decomposition applied to the infinite projected entangled pair state (iPEPS). Each Trotter gate increases the bond dimension of the tensor network, DDD, that has to be truncated back in a way that minimizes a suitable error measure. This paper goes beyond simplified error measures--like the one used in the full update, the simple update, and their intermediate neighborhood tensor update--and directly maximizes an overlap between the exact iPEPS with the increased bond dimension and the new iPEPS with the truncated one. The optimization is performed in a tangent space of the iPEPS variational manifold. This gradient tensor update is benchmarked by a simulation of a sudden quench of a transverse field in the 2D quantum Ising model and the quantum Kibble-Zurek mechanism in the same 2D system.
A typical quantum state obeying the area law for entanglement on an infinite two-dimensional (2D) lattice can be represented by a tensor network Ansatz, known as an infinite projected entangled pair state (iPEPS), with a finite bond dimension DDD. Its real-imaginary time evolution can be split into small time steps. An application of a time step generates a new iPEPS with a bond dimension kkk times the original one. The new iPEPS does not make optimal use of its enlarged bond dimension kDkDkD; hence, in principle, it can be represented accurately by a more compact Ansatz, preferably with the original DDD. In this work we show how the more compact iPEPS can be optimized variationally to maximize its overlap with the new iPEPS. To compute the overlap we use the corner-transfer-matrix renormalization group. By simulating sudden quench of the transverse field in the 2D quantum Ising model with the proposed algorithm, we provide a proof of principle that real-time evolution can be simulated with iPEPS. A similar proof is provided with the same model for imaginary-time evolution of purification of its thermal states.
An infinite projected entangled pair state (iPEPS) is a tensor network ansatz to represent a quantum state on an infinite 2D lattice whose accuracy is controlled by the bond dimension DDD. Its real, Lindbladian, or imaginary time evolution can be split into small time steps. Every time step generates a new iPEPS with an enlarged bond dimension ${D}^{\ensuremath{'}}>D$, which is approximated by an iPEPS with the original DDD. In P. Czarnik and J. Dziarmaga, Phys. Rev. B 98, 045110 (2018), an algorithm was introduced to optimize the approximate iPEPS by maximizing directly its fidelity to the one with the enlarged bond dimension ${D}^{\ensuremath{'}}$. In this paper, we implement a more efficient optimization employing a local estimator of the fidelity. For imaginary time evolution of a thermal state's purification, we also consider using unitary disentangling gates acting on ancillas to reduce the required DDD. We test the algorithm simulating Lindbladian evolution and unitary evolution after a sudden quench of transverse field hx{h}_{x}hx​ in the 2D quantum Ising model. Furthermore, we simulate thermal states of this model and estimate the critical temperature with good accuracy: 0.10.1%0.1 for hx=2.5{h}_{x}=2.5hx​=2.5 and 0.50.5%0.5 for the more challenging case of hx=2.9{h}_{x}=2.9hx​=2.9 close to the quantum critical point at hx=3.04438(2){h}_{x}=3.04438(2)hx​=3.04438(2).
Projected entangled pair states (PEPS) methods have been proven to be powerful tools to solve strongly correlated quantum many-body problems in two dimensions. However, due to the high computational scaling with the virtual bond dimension DDD, in a practical application, PEPS are often limited to rather small bond dimensions, which may not be large enough for some highly entangled systems, for instance, frustrated systems. Optimization of the ground state using the imaginary time evolution method with a simple update scheme may go to a larger bond dimension. However, the accuracy of the rough approximation to the environment of the local tensors is questionable. Here, we demonstrate that by combining the imaginary time evolution method with a simple update, Monte Carlo sampling techniques and gradient optimization will offer an efficient method to calculate the PEPS ground state. By taking advantage of massive parallel computing, we can study quantum systems with larger bond dimensions up to D=10D=10D=10 without resorting to any symmetry. Benchmark tests of the method on the ${J}_{1}\ensuremath{-}{J}_{2}$ model give impressive accuracy compared with exact results.
Within the Projected Entangled Pair State (PEPS) tensor network formalism, a simple update (SU) method has been used to investigate the time evolution of a two-dimensional U(1) critical spin-1/2 spin liquid under Hamiltonian quench [Phys. Rev. B 106, 195132 (2022)]. Here we introduce two different variational frameworks to describe the time dynamics of SU(2)-symmetric translationally-invariant PEPS, aiming to improve the accuracy. In one approach, after using a Trotter-Suzuki decomposition of the time evolution operator in term of two-site elementary gates, one considers a single bond embedded in an environment approximated by a Corner Transfer Matrix Renormalization Group (CTMRG). A variational update of the two tensors on the bond is performed under the application of the elementary gate and then, after symmetrization of the site tensors, the environment is updated. In the second approach, a cluster optimization is performed on a finite (periodic) cluster, maximizing the overlap of the exact time-evolved state with a symmetric finite-size PEPS ansatz. Observables are then computed on the infinite lattice contracting the infinite-PEPS (iPEPS) by CTMRG. We show that the variational schemes outperform the SU method and remain accurate over a significant time interval before hitting the entanglement barrier. Studying the spectrum of the transfer matrix, we find that the asymptotic correlations are very well preserved under time evolution, including the critical nature of the singlet correlations, as expected from the Lieb-Robinson (LR) bound theorem. Consistently, the system (asymptotic) boundary is found to be described by the same Conformal Field Theory of central charge c = 1 c = 1 during time evolution. We also compute the time-evolution of the short distance spin-spin correlations and estimate the LR velocity.