The PointGroupNRG code for numerical renormalization group calculations with discrete point-group symmetries

DOI10.1016/J.CPC.2023.109032arXiv2307.03658OpenAlexW4389119036MaRDI QIDQ6151892FDOQ6151892

Authors: Aitor Calvo-Fernández, Maria Blanco-Rey, Asier Eiguren 

Publication date: 12 February 2024

Published in: Computer Physics Communications (Search for Journal in Brave)

Abstract: The numerical renormalization group (NRG) has been widely used as a magnetic impurity solver since the pioneering works by Wilson. Over the past decades, a significant attention has been focused on the application of symmetries in order to reduce the computational cost of the calculations and to improve their accuracy. In particular, a notable progress has been made in implementing continuous symmetries such as $SO(3)$, useful for studying impurities in an isotropic medium, or $SU(N)$, which is applicable to a wide range of systems. In this work, we focus on the application of discrete point group symmetries, which are particularly relevant for impurity systems in metals where crystal field effects are important. With this aim, we have developed an original NRG code written in the Julia language, PointGroupNRG, where we have implemented crystal point-group symmetries for the Anderson impurity model, as well as the continuous spin and charge symmetries. Among other results, we demonstrate the advantage of our procedure by performing thermodynamic calculations for an impurity system with two orbitals of $E_g$ symmetry and two channels. We compare the results with those obtained for an approximate equivalent model with continuous orbital symmetry.

Full work available at URL: https://arxiv.org/abs/2307.03658

zbMATH Keywords

Anderson modelnumerical renormalization groupdiscrete symmetryKondo physicsHund physics

Mathematics Subject Classification ID

Statistical mechanics, structure of matter (82-XX) Quantum theory (81-XX)

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