Journal article

iQIST : An open source continuous-time quantum Monte Carlo impurity solver toolkit

  • Huang, Li Department of Physics, University of Fribourg, Switzerland
  • Wang, Yilin Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing, China
  • Meng, Zi Yang Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing, China - Department of Physics, University of Toronto, Canada
  • Du, Liang Department of Physics, The University of Texas at Austin, USA
  • Werner, Philipp Department of Physics, University of Fribourg, Switzerland
  • Dai, Xi Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing, China
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    07.05.2015
Published in:
  • Computer Physics Communications. - 2015, vol. 195, p. 140–160
English Quantum impurity solvers have a broad range of applications in theoretical studies of strongly correlated electron systems. Especially, they play a key role in dynamical mean-field theory calculations of correlated lattice models and realistic materials. Therefore, the development and implementation of efficient quantum impurity solvers is an important task. In this paper, we present an open source interacting quantum impurity solver toolkit (dubbed iQIST). This package contains several highly optimized quantum impurity solvers which are based on the hybridization expansion continuous-time quantum Monte Carlo algorithm, as well as some essential pre- and post-processing tools. We first introduce the basic principle of continuous-time quantum Monte Carlo algorithm and then discuss the implementation details and optimization strategies. The software framework, major features, and installation procedure for iQIST are also explained. Finally, several simple tutorials are presented in order to demonstrate the usage and power of iQIST.
Faculty
Faculté des sciences et de médecine
Department
Département de Physique
Language
  • English
Classification
Physics
License
License undefined
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/304528
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