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

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Main Authors: Lee, Tsung-Han, Lanatà, Nicola, Kotliar, Gabriel
Format: Preprint
Published: 2022
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author Lee, Tsung-Han
Lanatà, Nicola
Kotliar, Gabriel
author_facet Lee, Tsung-Han
Lanatà, Nicola
Kotliar, Gabriel
contents 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 wavefunction may approach the exact ground state in infinite dimensions. Our results suggest that the g-RISB is a promising method for first principle 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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id arxiv_https___arxiv_org_abs_2212_07515
institution arXiv
publishDate 2022
record_format arxiv
spellingShingle Accuracy of ghost-rotationally-invariant slave-boson and dynamical mean field theory as a function of the impurity-model bath size
Lee, Tsung-Han
Lanatà, Nicola
Kotliar, Gabriel
Strongly Correlated Electrons
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 wavefunction may approach the exact ground state in infinite dimensions. Our results suggest that the g-RISB is a promising method for first principle simulations of strongly correlated matter, which can capture the behavior of both static and dynamical observables, at a relatively low computational cost.
title Accuracy of ghost-rotationally-invariant slave-boson and dynamical mean field theory as a function of the impurity-model bath size
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2212.07515