[Submitted on 23 Jul 2026]
Gauge Auxiliary-Field Quantum Monte Carlo Method for Many-Fermion Systems
We propose novel Quantum Monte Carlo (QMC) methods for interacting many-fermion systems by leveraging the stochastic gauge freedom, originally developed in Gaussian phase-space QMC, within the phaseless auxiliary-field QMC (AFQMC) framework. In particular, we reinterpret the conventional force bias in phaseless AFQMC as a drift gauge and explore Fermi gauges based on natural orbitals of a reduced one-body density matrix defined via a mixed estimator, yielding stochastic, time-dependent Hartree-Fock-like dynamics. We propose a symmetry-projection sampling scheme to enhance the sampling efficiency. As a proof of concept, we apply these gauge-augmented AFQMC methods to a simple shell-model Hamiltonian: the Lipkin-Meshkov-Glick model. Numerical results illustrate the potential of stochastic gauges to enhance accuracy and reduce fluctuations, underscoring the promise for advancing these new techniques toward more realistic shell-model applications.
- Comments:
- 8 pages, 4 figures
- Subjects:
- Nuclear Theory (nucl-th); Strongly Correlated Electrons (cond-mat.str-el)
- arXiv:
- 2607.20917 [pdf]