Continuous-time quantum Monte Carlo impurity solvers

Published: 1 April 2011| Version 1 | DOI: 10.17632/6b5s7sbg23.1
Emanuel Gull, Philipp Werner, Sebastian Fuchs, Brigitte Surer, Thomas Pruschke, Matthias Troyer


Abstract Continuous-time quantum Monte Carlo impurity solvers are algorithms that sample the partition function of an impurity model using diagrammatic Monte Carlo techniques. The present paper describes codes that implement the interaction expansion algorithm originally developed by Rubtsov, Savkin, and Lichtenstein, as well as the hybridization expansion method developed by Werner, Millis, Troyer, et al. These impurity solvers are part of the ALPS-DMFT application package and are accompanied by an i... Title of program: dmft Catalogue Id: AEIL_v1_0 Nature of problem Quantum impurity models describe an atom or molecule embedded in a host material with which it can exchange electrons. They are basic to nanoscience as representations of quantum dots and molecular conductors and play an increasingly important role in the theory of "correlated electron" materials as auxiliary problems whose solution gives the "dynamical mean field" approximation to the self energy and local correlation functions. Versions of this program held in the CPC repository in Mendeley Data AEIL_v1_0; dmft; 10.1016/j.cpc.2010.12.050 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Surface Science, Condensed Matter Physics, Computational Physics