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  • Letter

Accuracy of ghost rotationally invariant slave-boson and dynamical mean field theory as a function of the impurity-model bath size

Tsung-Han Lee1,*, Nicola Lanatà2, and Gabriel Kotliar1,3

  • 1Physics and Astronomy Department, Center for Materials Theory, Rutgers University, Piscataway, New Jersey 08854, USA
  • 2School of Physics and Astronomy, Rochester Institute of Technology, 84 Lomb Memorial Drive, Rochester, New York 14623, USA
  • 3Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973, USA

  • *Corresponding author: tl596@physics.rutgers.edu

Phys. Rev. B 107, L121104 – Published 15 March, 2023

DOI: https://doi.org/10.1103/PhysRevB.107.L121104

Abstract

We compare the accuracy of the ghost rotationally invariant slave-boson (g-RISB) theory and dynamical mean field theory (DMFT) on the single-band Hubbard model, as a function of the number of bath sites in the embedding impurity Hamiltonian. Our benchmark calculations confirm that the accuracy of g-RISB can be systematically improved by increasing the number of bath sites, similar to DMFT. With a few bath sites, we observe that g-RISB is systematically more accurate than DMFT for the ground-state observables. On the other hand, the relative accuracy of these methods is generally comparable for the quasiparticle weight and the spectral function. As expected, we observe that g-RISB satisfies the variational principle in infinite dimensions, as the total energy decreases monotonically towards the exact value as a function of the number of bath sites, suggesting that the g-RISB wave function may approach the exact ground state in infinite dimensions. Our results suggest that the g-RISB is a promising method for first-principles simulations of strongly correlated matter, which can capture the behavior of both static and dynamical observables, at a relatively low computational cost.

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