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\(i \operatorname{QIST}\): An open source continuous-time quantum Monte Carlo impurity solver toolkit. (English) Zbl 1344.81018

Summary: 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 \(i \operatorname{QIST}\)). 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 \(i \operatorname{QIST}\) are also explained. Finally, several simple tutorials are presented in order to demonstrate the usage and power of \(i \operatorname{QIST}\).

MSC:

81-04 Software, source code, etc. for problems pertaining to quantum theory
65C05 Monte Carlo methods
82C10 Quantum dynamics and nonequilibrium statistical mechanics (general)
81P40 Quantum coherence, entanglement, quantum correlations
82C80 Numerical methods of time-dependent statistical mechanics (MSC2010)

Software:

TRIQS; dmft; ct-hyb; iQIST
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Full Text: DOI arXiv

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