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    Subbath cluster dynamical mean-field theory

    A. de Lagrave1,*, D. Sénéchal2,†, and M. Charlebois1,2,‡

    • *Contact author: antoine.de.lagrave@usherbrooke.ca
    • †Contact author: david.senechal@usherbrooke.ca
    • ‡Contact author: maxime.charlebois@uqtr.ca

    Phys. Rev. B 113, 165127 – Published 15 April, 2026

    DOI: https://doi.org/10.1103/g5gl-sfk4

    Abstract

    Cluster dynamical mean-field theory (CDMFT) with an exact diagonalization (ED) impurity solver faces exponential scaling limitations from the Hilbert space dimension. We introduce subbath CDMFT, an alternative to the conventional ED-CDMFT method in which the discrete bath is subdivided into separate subbaths, each coupled to the cluster with distinct hybridization functions. In this approach, only one subbath at a time is actively involved in ED, dramatically reducing the computational cost by replacing a single large impurity problem with multiple smaller separate ones. Our method successfully reproduces key physical properties including particle-hole symmetry and Mott physics, while allowing for an extended bath representation at a fraction of the typical computational cost.

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