4.6 Article

Efficiency of quantum Monte Carlo impurity solvers for the dynamical mean-field theory

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PHYSICAL REVIEW B
卷 76, 期 20, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.76.205120

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Since the inception of the dynamical mean-field theory, numerous numerical studies have relied on the Hirsch-Fye quantum Monte Carlo (HF-QMC) method for solving the associated impurity problem. Recently developed continuous-time algorithms (CT-QMC) avoid the Trotter discretization error and allow for faster configuration updates, which makes them candidates for replacing HF-QMC. We demonstrate, however, that a state-of-the-art implementation of HF-QMC (with extrapolation of discretization Delta tau -> 0) is competitive with CT-QMC. A quantitative analysis of Trotter errors in HF-QMC estimates and of appropriate Delta tau values is included.

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