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TRIQS Solver benchmarks

This repository provides systematic tests and benchmarks of various impurity solvers for a set of reference impurity models. We use the Python interface of the TRIQS library as a framework.

Each directory fully defines one specific impurity model and contains the following:

  • notebook.ipynb - IPython Notebook with a description of the impurity model and analysis of results.
  • model.py - Defines the local Hamiltonian and the hybridization function of the impurity model.
  • scripts - Contains one script for each applicable impurity solver (e.g. cthyb, pyed, ...).
  • results - Contains one hdf5 archive for each impurity solver (e.g. cthyb.h5). They consist of the results for the Green function and additional solver information.

Models

  • Hubbard_Atom A single atomic level with a Coulomb repulsion, a chemical potential and a Zeeman splitting term
  • SIAM_Discrete_Bath A dimer with spin-orbit coupling and density-density interaction coupled to two discrete bath states
  • SIAM_Wide_Band A dimer with spin-orbit coupling and density-density interaction coupled to two discrete bath states
  • Dimer A dimer with Kanamori-Interaction coupled to two discrete bath states
  • Dimer_SOC A dimer with spin-orbit coupling and density-density interaction coupled to two discrete bath states
  • Trimer A trimer with Kanamori-Interaction coupled to three discrete bath states
  • Sr2RuO4 An effective 3-band impurity model for Sr2RuO4
  • Sr2RuO4_SOC An effective 3-band impurity model for Sr2RuO4 including spin-orbit coupling

Impurity Solvers

  • triqs_cthyb - Continuous-time hybridization-expansion quantum Monte-Carlo code based on TRIQS.
    Maintainer: Nils Wentzell
  • triqs_ctseg (private) - Continuous-time hybridization-expansion quantum Monte-Carlo code in the segment picture.
    Maintainer: Thomas Ayral
  • triqs_ctint (private) - Continuous-time interaction-expansion quantum Monte-Carlo code based on TRIQS.
    Maintainer: Nils Wentzell
  • pyed - Exact diagonalization solver for finite quantum systems based on TRIQS.
    Maintainer: Hugo Strand
  • pomerol - An exact diagonalization (full-ED) code written in C++ aimed at solving condensed matter second-quantized models of interacting fermions on finite size lattices at finite temperatures. It is designed to produce single and two-particle Greens functions. (TRIQS Interface).
    Maintainer: Andrey Antipov
  • w2dynamics - A continuous-time hybridization expansion impurity solver contained in the w2dynamics software package (TRIQS interface).
    Maintainer: Andreas Hausoel

Adding your Solver

If you would like to add your impurity solver to this benchmark project, please start from the instructions given in the script_template file. For questions feel free to contact me or post an issue.