Green's function Monte Carlo combined with projected entangled pair state approach to the frustrated J1J2 Heisenberg model

He-Yu Lin, Yibin Guo, Rong-Qiang He, Z. Y. Xie, and Zhong-Yi Lu
Phys. Rev. B 109, 235133 – Published 17 June 2024

Abstract

The tensor network algorithm, a family of prevalent numerical methods for quantum many-body problems, aptly captures the entanglement properties intrinsic to quantum systems, enabling precise representation of quantum states. However, its computational cost is notably high, particularly in calculating physical observables like correlation functions. To surmount the computational challenge and enhance efficiency, we propose integrating the Green's function Monte Carlo (GFMC) method with the projected entangled pair state (PEPS) ansatz. This approach combines the high-efficiency characteristics of Monte Carlo with the sign-free nature of tensor network states and proves effective in addressing the computational bottleneck. To showcase its prowess, we apply this hybrid approach to investigate the antiferromagnetic J1J2 Heisenberg model on the square lattice, a model notorious for its sign problem in quantum Monte Carlo simulations. Our results reveal a substantial improvement in the accuracy of ground-state energy when utilizing a preliminary PEPS as the guiding wave function for GFMC. By calculating the structure factor and spin-spin correlation functions, we further characterize the phase diagram, identifying a possible columnar valence-bond state phase within the intermediate parameter range of 0.52<J2/J1<0.58. This comprehensive study underscores the efficacy of our combined approach, demonstrating its ability to accurately simulate frustrated quantum spin systems while ensuring computational efficiency.

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  • Received 4 January 2024
  • Revised 27 May 2024
  • Accepted 4 June 2024

DOI:https://doi.org/10.1103/PhysRevB.109.235133

©2024 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

He-Yu Lin1,2, Yibin Guo3, Rong-Qiang He1,2, Z. Y. Xie1,2,*, and Zhong-Yi Lu1,2,4,†

  • 1Department of Physics, Renmin University of China, Beijing 100872, China
  • 2Key Laboratory of Quantum State Construction and Manipulation (Ministry of Education), Renmin University of China, Beijing 100872, China
  • 3CQTA, DESY, Platanenallee 6, 15738 Zeuthen, Germany
  • 4Hefei National Laboratory, Hefei 230088, China

  • *Contact author: qingtaoxie@ruc.edu.cn
  • Contact author: zlu@ruc.edu.cn

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Issue

Vol. 109, Iss. 23 — 15 June 2024

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