Efficient initialization of dynamical mean-field theory

ORAL

Abstract

Dynamical mean-field theory (DMFT) is one of the leading tools for studying strongly correlated systems. However, each DMFT step can be computationally demanding and many iterations are required to achieve convergence. In this work, we initialize the DMFT self-consistent loop with the solutions of cheaper and more approximate methods in order to accelerate convergence. The different starting points we compare are the non-interacting, Hartree-Fock, and Hubbard-I solutions, as well as the rotationally invariant slave bosons (RISB) quantum embedding method and its "ghost" generalization (g-RISB). We find that g-RISB significantly outperforms the others, yielding accurate energies, quasiparticle weights, fillings, chemical potentials and spectral functions after a single DMFT iteration, everywhere except precisely at the metal-insulator transition. Our work suggests that initializing a fully self-consistent DMFT calculation with g-RISB significantly reduces the time to converge in all parameter regimes.

*E.M. was supported by an Australian Government Research Training Program (RTP) Scholarship and a Queensland Government Department of Environment, Science and Innovation top-up scholarship. This work was supported by the Australian Research Council (DP230100139, FT230100653). The Flatiron Institute is a division of the Simons Foundation. N.L. gratefully acknowledges funding from the National Science Foundation under Award No. DMR-2532771 and from the Simons Foundation (Grant No. 00010910). T.-H.L. gratefully acknowledges funding from the National Science and Technology Council (NSTC) of Taiwan under Grant No. NSTC 112-2112-M-194-007-MY3.

Publication: Planned paper: title in progress

Presenters

  • Ethan Makaresz

    • University of Queensland

Authors

  • Ethan Makaresz

    • University of Queensland
  • Olivier Gingras

    • Simons Foundation (Flatiron Institute)
  • Tsung-Han Lee

    • Rutgers University
  • Nicola Lanata

    • Rochester Institute of Technology
  • Ben J Powell

    • University of Queensland
  • Henry L Nourse

    • University of Sydney