TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridization expansion solver for quantum impurity problems - CEA - Commissariat à l’énergie atomique et aux énergies alternatives Access content directly
Journal Articles Computer Physics Communications Year : 2016

TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridization expansion solver for quantum impurity problems

Abstract

We present TRIQS/CTHYB, a state-of-the art open-source implementation of the continuous-time hybridisation expansion quantum impurity solver of the TRIQS package. This code is mainly designed to be used with the TRIQS library in order to solve the self-consistent quantum impurity problem in a multi-orbital dynamical mean field theory approach to strongly-correlated electrons, in particular in the context of realistic calculations. It is implemented in C++ for efficiency and is provided with a high-level Python interface. The code is ships with a new partitioning algorithm that divides the local Hilbert space without any user knowledge of the symmetries and quantum numbers of the Hamilto-nian. Furthermore, we implement higher-order configuration moves and show that such moves are necessary to ensure ergodicity of the Monte Carlo in common Hamiltonians even without symmetry-breaking.
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Dates and versions

cea-01232430 , version 1 (23-11-2015)

Identifiers

Cite

Priyanka Seth, Igor Krivenko, Michel Ferrero, Olivier Parcollet. TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridization expansion solver for quantum impurity problems. Computer Physics Communications, 2016, 200, pp.274-284. ⟨10.1016/j.cpc.2015.10.023⟩. ⟨cea-01232430⟩
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