EMUS-QMC: Elective Momentum Ultra-Size Quantum Monte Carlo Method

TL;DR

The paper introduces EMUS-QMC, a novel quantum Monte Carlo method that focuses on low-energy fermion modes near hot-spots, significantly reducing computational complexity and enabling larger system simulations for strongly correlated electron systems.

Contribution

It develops a momentum-space inhomogeneous mesh QMC method that targets low-energy physics, achieving higher efficiency and larger system sizes than traditional methods.

Findings

Achieves similar accuracy with orders of magnitude less computation.

Accesses larger system sizes, e.g., 48x48x32, for quantum critical models.

Provides high-precision scaling exponents for itinerant quantum critical points.

Abstract

One bottleneck of quantum Monte Carlo (QMC) simulation of strongly correlated electron systems lies at the scaling relation of computational complexity with respect to the system sizes. For generic lattice models of interacting fermions, the best methodology at hand still scales with $\beta N^3$ where $\beta$ is the inverse temperature and $N$ is the system size. Such scaling behavior has greatly hampered the accessibility of the universal infrared (IR) physics of many interesting correlated electron models at (2+1)D, let alone (3+1)D. To reduce the computational complexity, we develop a new QMC method with inhomogeneous momentum-space mesh, dubbed elective momentum ultra-size quantum Monte Carlo (EQMC) method. Instead of treating all fermionic excitations on an equal footing as in conventional QMC methods, by converting the fermion determinant into the momentum space, our method focuses on fermion modes that are directly associated with low-energy (IR) physics in the vicinity of the so-called hot-spots, while other fermion modes irrelevant for universal properties are ignored. As shown in the manuscript, for any cutoff-independent quantities, e.g. scaling exponents, this method can achieve the same level of accuracy with orders of magnitude increase in computational efficiency. We demonstrate this method with a model of antiferromagnetic itinerant quantum critical point, realized via coupling itinerant fermions with a frustrated transverse-field Ising model on a triangle lattice. The system size of $48 \times 48 \times 32$ ($L\times L\times\beta$, almost 3 times of previous investigations) are comfortably accessed with EQMC. With much larger system sizes, the scaling exponents are unveiled with unprecedentedly high accuracy, and this result sheds new light on the open debate about the nature and the universality class of itinerant quantum critical points.