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Worm Improved Estimators in Continuous-time Quantum Monte Carlo

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arxiv 1607.01211 v2 pith:ID5TD7LU submitted 2016-07-05 cond-mat.str-el

Worm Improved Estimators in Continuous-time Quantum Monte Carlo

classification cond-mat.str-el
keywords improvedalgorithmcalculatingcarlocontinuous-timeestimatorsinteractionsirreducible
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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We derive the improved estimators for general interactions and employ these for the continuous-time quantum Monte Carlo method. Using a worm algorithm we show how measuring higher-ordered correlators leads to an improved high-frequency behavior in irreducible quantities such as the one-particle self-energy or the irreducible two-particle vertex for non-density-density interactions. A good knowledge of the asymptotics of the two-particle vertex is essential for calculating non-local electronic correlations using diagrammatic extensions to the dynamical mean field theory as well as for calculating susceptibilities. We test our algorithm against analytic results for the multi-orbital atomic-limit and the Falicov-Kimball model.

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