- Accepted Paper
Stable determinant Monte Carlo simulations at low temperatures
Phys. Rev. B - Accepted 27 October, 2026
DOI: https://doi.org/10.1103/52s8-n486
Phys. Rev. B - Accepted 27 October, 2026
DOI: https://doi.org/10.1103/52s8-n486
At low temperatures where $\nicefrac{1}{T}=\beta\gg1$ the na"ive implementation of determinant quantum Monte Carlo (DQMC) methods suffers from loss of precision and numerical instabilities when evaluating the fermion determinant. In double precision the simulations of systems with a band width deteriorate around . This instability propagates into the calculation of observables that rely on the evaluation of the inverse of the fermion matrix, or the Green’s function. For DQMC methods that rely on the Hamiltonian Monte Carlo (HMC) algorithm, an additional complication comes from evaluating the force terms required for integrating Hamilton’s equations of motion, since here loss of precision and numerical instabilities are also prevalent. We show how to address all these issues using various choices of matrix decompositions, allowing us to simulate at or , which corresponds to room temperature for graphene structures. Furthermore, our implementation has numerical costs that scale similarly to the na"ive implementation, namely as , where () is the number of spatial (temporal) sites.
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