Comparison of computer-algebra strong-coupling perturbation theory and dynamical mean-field theory for the Mott-Hubbard insulator in high dimensions

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OriginalspracheEnglisch
Aufsatznummer245147
FachzeitschriftPhysical Review B
Jahrgang90
Ausgabenummer24
PublikationsstatusVeröffentlicht - 29 Dez. 2014

Abstract

We present a large-scale combinatorial-diagrammatic computation of high-order contributions to the strong-coupling Kato-Takahashi perturbation series for the Hubbard model in high dimensions. The ground-state energy of the Mott-insulating phase is determined exactly up to the 15th order in 1/U. The perturbation expansion is extrapolated to infinite order and the critical behavior is determined using the Domb-Sykes method. We compare the perturbative results with two dynamical mean-field theory (DMFT) calculations using a quantum Monte Carlo method and a density-matrix renormalization group method as impurity solvers. The comparison demonstrates the excellent agreement and accuracy of both extrapolated strong-coupling perturbation theory and quantum Monte Carlo based DMFT, even close to the critical coupling where the Mott insulator becomes unstable.

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Comparison of computer-algebra strong-coupling perturbation theory and dynamical mean-field theory for the Mott-Hubbard insulator in high dimensions. / Paech, Martin; Apel, Walter; Kalinowski, Eva et al.
in: Physical Review B, Jahrgang 90, Nr. 24, 245147, 29.12.2014.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

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author = "Martin Paech and Walter Apel and Eva Kalinowski and Eric Jeckelmann",
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AU - Paech, Martin

AU - Apel, Walter

AU - Kalinowski, Eva

AU - Jeckelmann, Eric

N1 - Publisher Copyright: © 2014 American Physical Society. ©2014 American Physical Society. Copyright: Copyright 2015 Elsevier B.V., All rights reserved.

PY - 2014/12/29

Y1 - 2014/12/29

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AB - We present a large-scale combinatorial-diagrammatic computation of high-order contributions to the strong-coupling Kato-Takahashi perturbation series for the Hubbard model in high dimensions. The ground-state energy of the Mott-insulating phase is determined exactly up to the 15th order in 1/U. The perturbation expansion is extrapolated to infinite order and the critical behavior is determined using the Domb-Sykes method. We compare the perturbative results with two dynamical mean-field theory (DMFT) calculations using a quantum Monte Carlo method and a density-matrix renormalization group method as impurity solvers. The comparison demonstrates the excellent agreement and accuracy of both extrapolated strong-coupling perturbation theory and quantum Monte Carlo based DMFT, even close to the critical coupling where the Mott insulator becomes unstable.

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