TRIQS-NCA

TRIQS-NCA is an implementation of the Non-Crossing Approximation (NCA) impurity solver, developed to work within the TRIQS (Toolbox for Research on Interacting Quantum Systems) ecosystem. It provides a diagrammatic solver for the Anderso…

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Overview

TRIQS-NCA is an implementation of the Non-Crossing Approximation (NCA) impurity solver, developed to work within the TRIQS (Toolbox for Research on Interacting Quantum Systems) ecosystem. It provides a diagrammatic solver for the Anderson Impurity Model features, effective for problems where the hybridization is the perturbation.

Reference Papers (1)

Full Documentation

Official Resources

  • Source Repository: https://github.com/amoutenet/NCA
  • License: Open Source (Check repository)

Overview

TRIQS-NCA is an implementation of the Non-Crossing Approximation (NCA) impurity solver, developed to work within the TRIQS (Toolbox for Research on Interacting Quantum Systems) ecosystem. It provides a diagrammatic solver for the Anderson Impurity Model features, effective for problems where the hybridization is the perturbation.

Scientific domain: Quantum Impurity Solvers, Diagrammatic Monte Carlo/Approximations Target user community: TRIQS users, researchers needing diagrammatic solvers

Theoretical Methods

  • Non-Crossing Approximation (NCA)
  • Diagrammatic Expansion (lowest order in 1/N or hybridization)
  • Green's Functions

Capabilities

  • Solving the Anderson Impurity Model
  • Working within the TRIQS framework
  • Calculating self-energies and Green's functions
  • Good for high degeneracy / large Coulomb repulsion regimes (Kondo/mixed valence)

Key Strengths

TRIQS Integration:

  • Directly compatible with the TRIQS library, allowing use in larger DMFT loops driven by TRIQS.

Physics Regime:

  • Efficient for capturing Kondo features and atomic limit physics where some other solvers struggle or are expensive.

Spectral Resolution:

  • Directly works on the real axis (or close to it) in some formulations, or imaginary axis. (NCA is often formulated on Real axis).

Inputs & Outputs

  • Input formats:
    • TRIQS Green's function objects
    • Hamiltonian/Interaction parameters
  • Output data types:
    • Solved Green's function (G)
    • Self-energy (Sigma)

Interfaces & Ecosystem

  • Dependency: Requires TRIQS library.
  • Language: C++ / Python (TRIQS standard).

Advanced Features

  • Collaboration: Developed with experts in the field (Georges, Parcollet et al.).

Performance Characteristics

  • Speed: Generally faster than CT-QMC, especially at low temperatures vs high frequencies.
  • Accuracy: Approximate. Fails at very low temperatures (below Kondo temperature artifacts) in some formulations.

Computational Cost

  • Moderate: Cheaper than exact QMC.

Limitations & Known Constraints

  • Approximation: NCA is not exact. It misses vertex corrections (crossing diagrams).
  • Artifacts: Can show non-Fermi liquid artifacts at T -> 0 in single channel models.

Comparison with Other Codes

  • vs CT-HYB: NCA is approximate, CT-HYB is exact. NCA is faster and has no sign problem.
  • vs OCA: One Crossing Approximation is the next order improvement over NCA.

Verification & Sources

Primary sources:

  1. GitHub: https://github.com/amoutenet/NCA

Verification status: ✅ VERIFIED

  • Source code: OPEN

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