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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. PROGRAM SUMMARY
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https://hal-cea.archives-ouvertes.fr/cea-01232430
Contributor : Emmanuelle de Laborderie <>
Submitted on : Monday, November 23, 2015 - 2:54:49 PM
Last modification on : Thursday, March 5, 2020 - 6:30:48 PM
Long-term archiving on: : Wednesday, February 24, 2016 - 12:50:13 PM

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Priyanka Seth, Igor Krivenko, Michel Ferrero, Olivier Parcollet. TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridization expansion solver for quantum impurity problems. 2015. ⟨cea-01232430⟩

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