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

TitleiQIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit
Authors
KeywordsDynamical mean-field theory
Continuous-time quantum Monte Carlo algorithm
Quantum impurity model
Issue Date2015
Citation
Computer Physics Communications, 2015, v. 195, p. 140-160 How to Cite?
Abstract© 2015 Elsevier B.V. All rights reserved. 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.
Persistent Identifierhttp://hdl.handle.net/10722/268572
ISSN
2019 Impact Factor: 3.627
2015 SCImago Journal Rankings: 1.890
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorHuang, Li-
dc.contributor.authorWang, Yilin-
dc.contributor.authorMeng, Zi Yang-
dc.contributor.authorDu, Liang-
dc.contributor.authorWerner, Philipp-
dc.contributor.authorDai, Xi-
dc.date.accessioned2019-03-25T08:00:06Z-
dc.date.available2019-03-25T08:00:06Z-
dc.date.issued2015-
dc.identifier.citationComputer Physics Communications, 2015, v. 195, p. 140-160-
dc.identifier.issn0010-4655-
dc.identifier.urihttp://hdl.handle.net/10722/268572-
dc.description.abstract© 2015 Elsevier B.V. All rights reserved. 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.-
dc.languageeng-
dc.relation.ispartofComputer Physics Communications-
dc.subjectDynamical mean-field theory-
dc.subjectContinuous-time quantum Monte Carlo algorithm-
dc.subjectQuantum impurity model-
dc.titleiQIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit-
dc.typeArticle-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/j.cpc.2015.04.020-
dc.identifier.scopuseid_2-s2.0-84932197725-
dc.identifier.volume195-
dc.identifier.spage140-
dc.identifier.epage160-
dc.identifier.isiWOS:000357750100015-
dc.identifier.issnl0010-4655-

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