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arXiv:1805.08350 · Computer Physics Communications

CT-X: An efficient continuous-time quantum Monte Carlo impurity solver in the Kondo regime

Changming Yue, Yilin Wang, Junya Otsuki, Xi Dai

Published Nov 7, 2018• 4 citations
arXivHTMLPDF
DOI
10.1016/j.cpc.2018.10.025

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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 $\ensuremath{\Delta}\ensuremath{\tau}\ensuremath{\rightarrow}0$) is competitive with CT-QMC. A quantitative analysis of Trotter errors in HF-QMC estimates and of appropriate $\ensuremath{\Delta}\ensuremath{\tau}$ values is included.