An efficient impurity-solver for the dynamical mean field theory algorithm

Autores
Núñez Fernández, Yuriel; Hallberg, Karen Astrid
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
One of the most reliable and widely used methods to calculate electronic structure of strongly correlated models is the Dynamical Mean Field Theory (DMFT) developed over two decades ago. It is a non-perturbative algorithm which, in its simplest version, takes into account strong local interactions by mapping the original lattice model on to a single impurity model. This model has to be solved using some many-body technique. Several methods have been used, the most reliable and promising of which is the Density Matrix Renormalization technique. In this paper, we present an optimized implementation of this method based on using the star geometry and correction-vector algorithms to solve the related impurity Hamiltonian and obtain dynamical properties on the real frequency axis. We show results for the half-filled and doped one-band Hubbard models on a square lattice.
Fil: Núñez Fernández, Yuriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
Fil: Hallberg, Karen Astrid. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
Materia
Stongly correlated materials
Numerical simulations
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/75895
Acceder
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network_name_str CONICET Digital (CONICET)
spelling An efficient impurity-solver for the dynamical mean field theory algorithmNúñez Fernández, YurielHallberg, Karen AstridStongly correlated materialsNumerical simulationshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1One of the most reliable and widely used methods to calculate electronic structure of strongly correlated models is the Dynamical Mean Field Theory (DMFT) developed over two decades ago. It is a non-perturbative algorithm which, in its simplest version, takes into account strong local interactions by mapping the original lattice model on to a single impurity model. This model has to be solved using some many-body technique. Several methods have been used, the most reliable and promising of which is the Density Matrix Renormalization technique. In this paper, we present an optimized implementation of this method based on using the star geometry and correction-vector algorithms to solve the related impurity Hamiltonian and obtain dynamical properties on the real frequency axis. We show results for the half-filled and doped one-band Hubbard models on a square lattice.Fil: Núñez Fernández, Yuriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; ArgentinaFil: Hallberg, Karen Astrid. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; ArgentinaInstituto de Física de Líquidos y Sistemas Biológicos2017-08-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/75895Núñez Fernández, Yuriel; Hallberg, Karen Astrid; An efficient impurity-solver for the dynamical mean field theory algorithm; Instituto de Física de Líquidos y Sistemas Biológicos; Papers in Physics; 9; 1-8-2017; 1-71852-4249CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.4279/PIP.090005info:eu-repo/semantics/altIdentifier/url/https://www.papersinphysics.org/papersinphysics/article/view/388info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:52:20Zoai:ri.conicet.gov.ar:11336/75895instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:52:20.809CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv An efficient impurity-solver for the dynamical mean field theory algorithm
title An efficient impurity-solver for the dynamical mean field theory algorithm
spellingShingle An efficient impurity-solver for the dynamical mean field theory algorithm
Núñez Fernández, Yuriel
Stongly correlated materials
Numerical simulations
title_short An efficient impurity-solver for the dynamical mean field theory algorithm
title_full An efficient impurity-solver for the dynamical mean field theory algorithm
title_fullStr An efficient impurity-solver for the dynamical mean field theory algorithm
title_full_unstemmed An efficient impurity-solver for the dynamical mean field theory algorithm
title_sort An efficient impurity-solver for the dynamical mean field theory algorithm
dc.creator.none.fl_str_mv Núñez Fernández, Yuriel
Hallberg, Karen Astrid
author Núñez Fernández, Yuriel
author_facet Núñez Fernández, Yuriel
Hallberg, Karen Astrid
author_role author
author2 Hallberg, Karen Astrid
author2_role author
dc.subject.none.fl_str_mv Stongly correlated materials
Numerical simulations
topic Stongly correlated materials
Numerical simulations
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv One of the most reliable and widely used methods to calculate electronic structure of strongly correlated models is the Dynamical Mean Field Theory (DMFT) developed over two decades ago. It is a non-perturbative algorithm which, in its simplest version, takes into account strong local interactions by mapping the original lattice model on to a single impurity model. This model has to be solved using some many-body technique. Several methods have been used, the most reliable and promising of which is the Density Matrix Renormalization technique. In this paper, we present an optimized implementation of this method based on using the star geometry and correction-vector algorithms to solve the related impurity Hamiltonian and obtain dynamical properties on the real frequency axis. We show results for the half-filled and doped one-band Hubbard models on a square lattice.
Fil: Núñez Fernández, Yuriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
Fil: Hallberg, Karen Astrid. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
description One of the most reliable and widely used methods to calculate electronic structure of strongly correlated models is the Dynamical Mean Field Theory (DMFT) developed over two decades ago. It is a non-perturbative algorithm which, in its simplest version, takes into account strong local interactions by mapping the original lattice model on to a single impurity model. This model has to be solved using some many-body technique. Several methods have been used, the most reliable and promising of which is the Density Matrix Renormalization technique. In this paper, we present an optimized implementation of this method based on using the star geometry and correction-vector algorithms to solve the related impurity Hamiltonian and obtain dynamical properties on the real frequency axis. We show results for the half-filled and doped one-band Hubbard models on a square lattice.
publishDate 2017
dc.date.none.fl_str_mv 2017-08-01
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/75895
Núñez Fernández, Yuriel; Hallberg, Karen Astrid; An efficient impurity-solver for the dynamical mean field theory algorithm; Instituto de Física de Líquidos y Sistemas Biológicos; Papers in Physics; 9; 1-8-2017; 1-7
1852-4249
CONICET Digital
CONICET
url http://hdl.handle.net/11336/75895
identifier_str_mv Núñez Fernández, Yuriel; Hallberg, Karen Astrid; An efficient impurity-solver for the dynamical mean field theory algorithm; Instituto de Física de Líquidos y Sistemas Biológicos; Papers in Physics; 9; 1-8-2017; 1-7
1852-4249
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.4279/PIP.090005
info:eu-repo/semantics/altIdentifier/url/https://www.papersinphysics.org/papersinphysics/article/view/388
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Instituto de Física de Líquidos y Sistemas Biológicos
publisher.none.fl_str_mv Instituto de Física de Líquidos y Sistemas Biológicos
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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