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arXiv:2407.15333

Beyond Boundaries: efficient Projected Entangled Pair States methods for periodic quantum systems

Shaojun Dong, Chao Wang, Zhang, Hao, Meng Zhang, Lixin He

Published Jul 22, 2024• 0 citations
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Abstract

Projected Entangled Pair States (PEPS) are recognized as a potent tool for exploring two-dimensional quantum many-body systems. However, a significant challenge emerges when applying conventional PEPS methodologies to systems with periodic boundary conditions (PBC), attributed to the prohibitive computational scaling with the bond dimension. This has notably restricted the study of systems with complex boundary conditions. To address this challenge, we have developed a strategy that involves the superposition of PEPS with open boundary conditions (OBC) to treat systems with PBC. This approach significantly reduces the computational complexity of such systems while maintaining their translational invariance and the PBC. We benchmark this method against the Heisenberg model and the $J_1$-$J_2$ model, demonstrating its capability to yield highly accurate results at low computational costs, even for large system sizes. The techniques are adaptable to other boundary conditions, including cylindrical and twisted boundary conditions, and therefore significantly expands the application scope of the PEPS approach, shining new light on numerous applications.

DOI
10.48550/arxiv.2407.15333

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Projected Entangled Pair States (PEPS) are recognized as a potent tool for exploring two-dimensional quantum many-body systems. However, a significant challenge emerges when applying conventional PEPS methodologies to systems with periodic boundary conditions (PBC), attributed to the prohibitive computational scaling with the bond dimension. This has notably restricted the study of systems with complex boundary conditions. To address this challenge, we have developed a strategy that involves the superposition of PEPS with open boundary conditions (OBC) to treat systems with PBC. This approach significantly reduces the computational complexity of such systems while maintaining their translational invariance and the PBC. We benchmark this method against the Heisenberg model and the J1J_1J1​-J2J_2J2​ model, demonstrating its capability to yield highly accurate results at low computational costs, even for large system sizes. The techniques are adaptable to other boundary conditions, including cylindrical and twisted boundary conditions, and therefore significantly expands the application scope of the PEPS approach, shining new light on numerous applications.
Projected entangled pair states (PEPS) are recognized as a potent tool for exploring two-dimensional quantum many-body systems. However, a significant challenge emerges when applying conventional PEPS methodologies to systems with periodic boundary conditions (PBCs), attributed to the prohibitive computational scaling with the bond dimension. This has notably restricted the study of systems with complex boundary conditions. To address this challenge, we have developed a strategy that involves the superposition of PEPS with open boundary conditions (OBCs) to treat systems with PBCs. This approach significantly reduces the computational complexity of such systems while maintaining their translational invariance and the PBCs. We benchmark this method against the Heisenberg model and the J_{1}-J_{2} model, demonstrating its capability to yield highly accurate results at low computational costs, even for large system sizes. We further apply the method to study the Chern numbers of the hard-core Harper-Hofstadter model at different filling factors using twisted boundary conditions. This advancement significantly broadens the applicability of the PEPS approach, opening new avenues for studying a wide range of quantum many-body phenomena.
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.
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.
Projected entangled pair states (PEPS) provide a powerful variational class for strongly correlated ground states in two dimensions, but how to apply them to clusters with periodic boundary conditions was an open question. To solve this problem, a novel algorithm is introduced to contract PEPS on a torus and variational ground state optimization is performed using gradient methods in combination with state-of-the-art automatic differentiation. The authors observe finite-size scaling of critical (2+1)d quantum models and use this to successfully extract scaling dimensions.
Abstract This paper introduces a hybrid approach combining Green’s function Monte Carlo (GFMC) method with projected entangled pair state (PEPS) ansatz. This hybrid method regards PEPS as a trial state and a guiding wave function in GFMC. By leveraging PEPS’s proficiency in capturing quantum state entanglement and GFMC’s efficient parallel architecture, the hybrid method is well-suited for the accurate and efficient treatment of frustrated quantum spin systems. As a benchmark, we applied this approach to study the frustrated J 1–J 2 Heisenberg model on a square lattice with periodic boundary conditions (PBCs). Compared with other numerical methods, our approach integrating PEPS and GFMC shows competitive accuracy in the performance of ground-state energy. This paper provides systematic and comprehensive discussion of the approach of our previous work [Phys. Rev. B 109 235133 (2024)].
Projected entangled pair states (PEPS) are a promising ansatz for the study of strongly correlated quantum many-body systems in two dimensions. However, due to their high computational cost, developing and improving PEPS algorithms is necessary to make the ansatz widely usable in practice. Here we analyze several algorithmic aspects of the method. On the one hand, we quantify the connection between the correlation length of the PEPS and the accuracy of its approximate contraction and discuss how purifications can be used in the latter. On the other hand, we present algorithmic improvements for the update of the tensor that introduce drastic gains in the numerical conditioning and the efficiency of the algorithms. Finally, the state-of-the-art general PEPS code is benchmarked with the Heisenberg and quantum Ising models on lattices of up to $21\ifmmode\times\else\texttimes\fi{}21$ sites.