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.