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    Efficient iPEPS simulation on the honeycomb lattice via QR-based corner transfer matrix renormalization group

    Qi Yang and Philippe Corboz

    Phys. Rev. B 113, 085109 – Published 5 February, 2026

    DOI: https://doi.org/10.1103/9gmp-byx8

    Abstract

    We develop a QR-based corner transfer matrix renormalization group (CTMRG) framework for contracting infinite projected entangled-pair states on honeycomb lattices. Our method explicitly uses the lattice's native C3v symmetry at each site, generalizing QR-based acceleration (previously limited to square lattices) to enable efficient and stable contractions. This approach achieves order-of-magnitude speedups over conventional singular value decomposition-based CTMRG while maintaining high numerical precision. Comprehensive benchmark calculations for the spin-1/2 Heisenberg and Kitaev models demonstrate higher computational efficiency without sacrificing accuracy. We further employ our method to study the Kitaev-Heisenberg model, where we provide numerical evidence for the universal 1/r4 decay of the dimer-dimer correlation function within the quantum spin liquid phase. Our work establishes a framework for extending QR-based CTMRG to other lattice geometries, opening alternative avenues for studying exotic quantum phases with tensor networks.

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