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A combined variational and diagrammatic quantum Monte Carlo approach to the many-electron problem

Two of the most influential ideas developed by Richard Feynman are the Feynman diagram technique and his variational approach. Here we show that combining both, and introducing a diagrammatic quantum Monte Carlo method, results in a powerful and accurate solver to the generic solid state problem, in...

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Autores principales: Chen, Kun, Haule, Kristjan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6700185/
https://www.ncbi.nlm.nih.gov/pubmed/31427574
http://dx.doi.org/10.1038/s41467-019-11708-6
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author Chen, Kun
Haule, Kristjan
author_facet Chen, Kun
Haule, Kristjan
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description Two of the most influential ideas developed by Richard Feynman are the Feynman diagram technique and his variational approach. Here we show that combining both, and introducing a diagrammatic quantum Monte Carlo method, results in a powerful and accurate solver to the generic solid state problem, in which a macroscopic number of electrons interact by the long range Coulomb repulsion. We apply it to the quintessential problem of solid state, the uniform electron gas, which is at the heart of the density functional theory success in describing real materials, yet it has not been adequately solved for over 90 years. Our method allows us to calculate numerically exact momentum and frequency resolved spin and charge response functions. This method can be applied to a number of moderately interacting electron systems, including models of realistic metallic and semiconducting solids.
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spelling pubmed-67001852019-08-21 A combined variational and diagrammatic quantum Monte Carlo approach to the many-electron problem Chen, Kun Haule, Kristjan Nat Commun Article Two of the most influential ideas developed by Richard Feynman are the Feynman diagram technique and his variational approach. Here we show that combining both, and introducing a diagrammatic quantum Monte Carlo method, results in a powerful and accurate solver to the generic solid state problem, in which a macroscopic number of electrons interact by the long range Coulomb repulsion. We apply it to the quintessential problem of solid state, the uniform electron gas, which is at the heart of the density functional theory success in describing real materials, yet it has not been adequately solved for over 90 years. Our method allows us to calculate numerically exact momentum and frequency resolved spin and charge response functions. This method can be applied to a number of moderately interacting electron systems, including models of realistic metallic and semiconducting solids. Nature Publishing Group UK 2019-08-19 /pmc/articles/PMC6700185/ /pubmed/31427574 http://dx.doi.org/10.1038/s41467-019-11708-6 Text en © The Author(s) 2019 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Chen, Kun
Haule, Kristjan
A combined variational and diagrammatic quantum Monte Carlo approach to the many-electron problem
title A combined variational and diagrammatic quantum Monte Carlo approach to the many-electron problem
title_full A combined variational and diagrammatic quantum Monte Carlo approach to the many-electron problem
title_fullStr A combined variational and diagrammatic quantum Monte Carlo approach to the many-electron problem
title_full_unstemmed A combined variational and diagrammatic quantum Monte Carlo approach to the many-electron problem
title_short A combined variational and diagrammatic quantum Monte Carlo approach to the many-electron problem
title_sort combined variational and diagrammatic quantum monte carlo approach to the many-electron problem
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6700185/
https://www.ncbi.nlm.nih.gov/pubmed/31427574
http://dx.doi.org/10.1038/s41467-019-11708-6
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