2016/07/31 by Patrik Gunacker, Markus Wallerberger, T. Ribic +4 · 1 citation
Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Computer science #Density functional theory #Diagrammatic reasoning #Discrete mathematics #Dynamical mean field theory #Estimator #Limit (mathematics) #Mathematical analysis #Mathematics #Monte Carlo method #Physics #Physics of Superconductivity and Magnetism #Quantum #Quantum Monte Carlo #Quantum and electron transport phenomena #Quantum mechanics #Statistical physics #Statistics #Vertex (graph theory) #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.94.125153
published as Phys. Rev. B 94, 125153 (2016) · 10 pages, 8 figures
arxiv created 2016/09/07 · openalex publication_date 2016/09/30 · arxiv updated 2016/10/07 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
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 nonlocal 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 multiorbital atomic limit and the Falicov-Kimball model.