Decoupling method for dynamical mean-field theory calculations

Harald Olaf Jeschke, Gabriel Kotliar

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the impurity solver against exact diagonalization, and apply the method to study the infinite U Hubbard model, the periodic Anderson model and the pd model. This simple and numerically efficient approach yields the spectra expected for strongly correlated materials, with a quasiparticle peak and a Hubbard band. It works in a large range of parameters, and therefore can be used for the exploration of real materials using the local density approximation and dynamical mean field theory.

Original languageEnglish
Article number085103
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume71
Issue number8
DOIs
Publication statusPublished - Feb 2005
Externally publishedYes

Fingerprint

Mean field theory
decoupling
Impurities
Local density approximation
Hubbard model
impurities
Equations of motion
equations of motion
approximation

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Decoupling method for dynamical mean-field theory calculations. / Jeschke, Harald Olaf; Kotliar, Gabriel.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 71, No. 8, 085103, 02.2005.

Research output: Contribution to journalArticle

@article{9b32fa1cc2b54d1f8f870c83d6198c82,
title = "Decoupling method for dynamical mean-field theory calculations",
abstract = "In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the impurity solver against exact diagonalization, and apply the method to study the infinite U Hubbard model, the periodic Anderson model and the pd model. This simple and numerically efficient approach yields the spectra expected for strongly correlated materials, with a quasiparticle peak and a Hubbard band. It works in a large range of parameters, and therefore can be used for the exploration of real materials using the local density approximation and dynamical mean field theory.",
author = "Jeschke, {Harald Olaf} and Gabriel Kotliar",
year = "2005",
month = "2",
doi = "10.1103/PhysRevB.71.085103",
language = "English",
volume = "71",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "8",

}

TY - JOUR

T1 - Decoupling method for dynamical mean-field theory calculations

AU - Jeschke, Harald Olaf

AU - Kotliar, Gabriel

PY - 2005/2

Y1 - 2005/2

N2 - In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the impurity solver against exact diagonalization, and apply the method to study the infinite U Hubbard model, the periodic Anderson model and the pd model. This simple and numerically efficient approach yields the spectra expected for strongly correlated materials, with a quasiparticle peak and a Hubbard band. It works in a large range of parameters, and therefore can be used for the exploration of real materials using the local density approximation and dynamical mean field theory.

AB - In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the impurity solver against exact diagonalization, and apply the method to study the infinite U Hubbard model, the periodic Anderson model and the pd model. This simple and numerically efficient approach yields the spectra expected for strongly correlated materials, with a quasiparticle peak and a Hubbard band. It works in a large range of parameters, and therefore can be used for the exploration of real materials using the local density approximation and dynamical mean field theory.

UR - http://www.scopus.com/inward/record.url?scp=16344363992&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=16344363992&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.71.085103

DO - 10.1103/PhysRevB.71.085103

M3 - Article

AN - SCOPUS:16344363992

VL - 71

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 8

M1 - 085103

ER -