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    Determination of ground states of one-dimensional quantum systems using the cluster iTEBD method

    Tao Yang1, Rui Wang1,2,3,4,*, Z. Y. Xie5,6,†, and Baigeng Wang1,2,4

    • *Contact author: rwang89@nju.edu.cn
    • †Contact author: qingtaoxie@ruc.edu.cn

    Phys. Rev. B 112, 085142 – Published 25 August, 2025

    DOI: https://doi.org/10.1103/pfzr-tc95

    Abstract

    Within the framework of imaginary-time evolution for matrix product states, we introduce a cluster version of the infinite time-evolving block decimation algorithm for simulating quantum many-body systems, addressing the computational accuracy challenges in strongly correlated physics. By redefining the wave-function ansatz to incorporate multiple physical degrees of freedom, we enhance the representation of entanglement, thereby improving the accuracy of the ground states. Utilizing the Trotter-Suzuki decomposition and optimized truncation schemes, our method maintains roughly the same computational complexity while capturing more quantum correlations. We apply this approach to three nontrivial cases: the gapless spin-1/2 Heisenberg chain, the spin-1 anisotropic XXZD chain with a higher-order Gaussian-type phase transition, and a spin-1/2 twisted triangular prism hosting a magnetic plateau phase. Improved accuracy in physical quantities, such as magnetization, ground-state energy, and entanglement entropy, has been demonstrated. This method provides a scalable framework for studying complex quantum systems with high precision, making it suitable for situations where a pure increase in bond dimension alone cannot guarantee satisfactory results.

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