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This study advances quantum simulation techniques by demonstrating how symmetry-adapted trial wave functions significantly reduce constraint bias in Constrained-Path Monte Carlo calculations for frustrated triangular-lattice systems. The findings provide a practical, polynomial-scaling pathway for accurately modeling competing ground states in strongly correlated electron materials using CPMC.
Study of the triangular-lattice Hubbard model with constrained-path quantum Monte Carlo
arXiv:2603.14808v2 Announce Type: replace-cross Abstract: We benchmark constrained-path Monte Carlo (CPMC) on the triangular-lattice Hubbard model for several fillings and $U$ values and show that symmetry-adapted trial wave functions substantially improve quantitative accuracy. Away from half-filling, simple free-electron-based trials that preserve the ground state symmetry yield energy deviations $\lesssim 1\%$ from exact diagonalization and density matrix renormalization group results. At half-filling, strong frustration in the intermediate to large $U$ regimes necessitates symmetry-projected trials to reach comparable accuracy, where both free-electron and symmetry-broken Hartree-Fock trials incur substantial constraint bias. Since the computational cost of CPMC with symmetry projection scales polynomially with system size, our results motivate its use as a practical route for studying competing ground states in strongly correlated, frustrated systems.
Abstract:We benchmark constrained-path Monte Carlo (CPMC) on the triangular-lattice Hubbard model for several fillings and $U$ values and show that symmetry-adapted trial wave functions substantially improve quantitative accuracy. Away from half-filling, simple free-electron-based trials that preserve the ground state symmetry yield energy deviations $\lesssim 1\%$ from exact diagonalization and density matrix renormalization group results. At half-filling, strong frustration in the intermediate to large $U$ regimes necessitates symmetry-projected trials to reach comparable accuracy, where both free-electron and symmetry-broken Hartree-Fock trials incur substantial constraint bias. Since the computational cost of CPMC with symmetry projection scales polynomially with system size, our results motivate its use as a practical route for studying competing ground states in strongly correlated, frustrated systems.
Strongly Correlated Electrons (cond-mat.str-el); Quantum Physics (quant-ph)
arXiv:2603.14808 [cond-mat.str-el]
(or arXiv:2603.14808v2 [cond-mat.str-el] for this version)
https://doi.org/10.48550/arXiv.2603.14808 Focus to learn more arXiv-issued DOI via DataCite
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