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arXiv:2304.13184 · SciPost Physics

Tensor network variational optimizations for real-time dynamics: Application to the time-evolution of spin liquids

Ravi Teja Ponnaganti, Matthieu Mambrini, Didier Poilblanc

Published Oct 12, 2023• 4 citations
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Abstract

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.

DOI
10.21468/scipostphys.15.4.158

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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.
Projected entangled-pair states (PEPS) have become a powerful tool for studying quantum many-body systems in the condensed matter and quantum materials context, particularly with advances in variational energy optimization methods. A key challenge within this framework is the computational cost associated with the contraction of the two-dimensional lattice, crucial for calculating state vector norms and expectation values. The conventional approach, using the corner transfer matrix renormalization group (CTMRG), involves combining two tensor network layers, resulting in significant time and memory demands. In this work, we introduce an alternative split-CTMRG algorithm, which maintains separate PEPS layers and leverages modified environment tensors, reducing computational complexity while preserving accuracy. Benchmarks on quantum lattice models demonstrate substantial speedups for variational energy optimization, rendering this method valuable for large-scale PEPS simulations.
The presence of strong-interactions and entanglement in a quantum many-body system can lead to several exotic states of matter. Quantum Spin liquids are one such set of exotic states that have attracted significant interest due to their interesting properties and possible technological applications. The rapid progress in cold atom experiment setups, particularly the Rydberg atom simulators, has opened up new avenues to study these spin liquids in one and two-dimensions. This calls for advanced theoretical techniques to investigate the non-equilibrium properties of isolated pure quantum states. This thesis aims to develop numerical algorithms to study the non-equilibrium properties of spin liquids on a square lattice following a quantum quench using the framework of tensor networks. A variational form of Projected Entangled Pair State (PEPS) ansatz is used to describe the spin liquids. A new symmetric form of the Corner Transfer Matrix Renormalization group (CTMRG), the algorithm necessary to construct the reduced density matrix of the wavefunction in the thermodynamic limit for a complex-valued PEPS wavefunction, is described. To study the quench dynamics, two algorithms called simple-update and full update, along with the necessary modifications to adapt them to study spin liquid wavefunctions, are explained. The tools are then used to study the non-equilibrium dynamics of the resonating valence bond (RVB) state with nearest-neighbor (NN) valence bond configurations, a spin-liquid state that is known to exhibit critical dimer-dimer correlations, within the PEPS manifold.
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.
Infinite Projected entangled-pair state (iPEPS) is a two-dimensional tensor network (TN) ansatz targeting the ground states of lattice models directly in the thermodynamic limit. It is the most successful among the true two-dimensional TN methods, challenging the more common density matrix renormalization group computations conducted on a finite-width cylinders. iPEPS, being a variational method does not suffer from the infamous sign problem, and hence could be readily applied to both fermionic problems off the half-filling and frustrated spin system. Using the imaginary-time optimization, the so called Full Update, led to the celebrated results of iPEPS such as the analysis of stripes in doped t-J and Hubbard models or the insight into the magnetization plateaus in Shastry-Sutherland model. However, the physics of the continuous phase transitions from the symmetry-broken Neel phase into the valence-bond solids or spin-liquids in frustrated magnets is still eluding iPEPS. The main difficulty lies in the optimization, since Full Update is just not precise enough. In the pursuit of the best variational iPEPS states, the gradient methods were put forward in 2016 by Corboz and Vanderstraeten. However, due to their complex nature, they have not been widely adopted especially for iPEPS ansatze with larger unit cells. We will introduce an alternative approach first applied in the context of iPEPS by Liao et al., based on the well established method of Algorithmic differentiation (AD) which allows us to evaluate gradients for iPEPS in a robust and conceptually simple way. Finally, we will present the results of our investigation into the physics of frustrated magnets putting AD to work.
Within the tensor network framework, the (positive) thermal density operator can be approximated by a double layer of infinite Projected Entangled Pair Operators (iPEPO) coupled via ancilla degrees of freedom.To investigate the thermal properties of the spin-1/2 Heisenberg model on the square lattice, we introduce a family of fully spin-SU(2) and lattice-C 4v symmetric on-site tensors (of bond dimensions D = 4 or D = 7) and a plaquette-based Trotter-Suzuki decomposition of the imaginary-time evolution operator.A variational optimization is performed on the plaquettes, using a full (for D = 4) or simple (for D = 7) environment obtained from the single-site Corner Transfer Matrix Renormalization Group fixed point.The method is benchmarked by a comparison to quantum Monte Carlo in the thermodynamic limit.Although the iPEPO spin correlation length starts to deviate from the exact exponential growth for inverse-temperature β 2, the behavior of various observables turns out to be quite accurate once plotted w.r.t the inverse correlation length.We also find that a direct T = 0 variational energy optimization provides results in full agreement with the β → ∞ limit of finite-temperature data, hence validating the imaginary-time evolution procedure.Extension of the method to frustrated models is described and preliminary results are shown.