Cargando…

Single-particle excitations in the uniform electron gas by diagrammatic Monte Carlo

We calculate the single-particle excitation spectrum and the Landau liquid parameters for the archetypal model of solids, the three-dimensional uniform electron gas, with the variational diagrammatic Monte Carlo method, which gives numerically controlled results without systematic error. In the meta...

Descripción completa

Detalles Bibliográficos
Autores principales: Haule, Kristjan, Chen, Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8831554/
https://www.ncbi.nlm.nih.gov/pubmed/35145153
http://dx.doi.org/10.1038/s41598-022-06188-6
_version_ 1784648530634211328
author Haule, Kristjan
Chen, Kun
author_facet Haule, Kristjan
Chen, Kun
author_sort Haule, Kristjan
collection PubMed
description We calculate the single-particle excitation spectrum and the Landau liquid parameters for the archetypal model of solids, the three-dimensional uniform electron gas, with the variational diagrammatic Monte Carlo method, which gives numerically controlled results without systematic error. In the metallic range of density, we establish benchmark values for the wave-function renormalization factor Z, the effective mass [Formula: see text] , and the Landau parameters [Formula: see text] and [Formula: see text] with unprecedented accuracy, and we resolve the long-standing puzzle of non-monotonic dependence of mass on density. We also exclude the possibility that experimentally measured large reduction of bandwidth in Na metal can originate from the charge and spin fluctuations contained in the model of the uniform electron gas.
format Online
Article
Text
id pubmed-8831554
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher Nature Publishing Group UK
record_format MEDLINE/PubMed
spelling pubmed-88315542022-02-14 Single-particle excitations in the uniform electron gas by diagrammatic Monte Carlo Haule, Kristjan Chen, Kun Sci Rep Article We calculate the single-particle excitation spectrum and the Landau liquid parameters for the archetypal model of solids, the three-dimensional uniform electron gas, with the variational diagrammatic Monte Carlo method, which gives numerically controlled results without systematic error. In the metallic range of density, we establish benchmark values for the wave-function renormalization factor Z, the effective mass [Formula: see text] , and the Landau parameters [Formula: see text] and [Formula: see text] with unprecedented accuracy, and we resolve the long-standing puzzle of non-monotonic dependence of mass on density. We also exclude the possibility that experimentally measured large reduction of bandwidth in Na metal can originate from the charge and spin fluctuations contained in the model of the uniform electron gas. Nature Publishing Group UK 2022-02-10 /pmc/articles/PMC8831554/ /pubmed/35145153 http://dx.doi.org/10.1038/s41598-022-06188-6 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open AccessThis 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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Haule, Kristjan
Chen, Kun
Single-particle excitations in the uniform electron gas by diagrammatic Monte Carlo
title Single-particle excitations in the uniform electron gas by diagrammatic Monte Carlo
title_full Single-particle excitations in the uniform electron gas by diagrammatic Monte Carlo
title_fullStr Single-particle excitations in the uniform electron gas by diagrammatic Monte Carlo
title_full_unstemmed Single-particle excitations in the uniform electron gas by diagrammatic Monte Carlo
title_short Single-particle excitations in the uniform electron gas by diagrammatic Monte Carlo
title_sort single-particle excitations in the uniform electron gas by diagrammatic monte carlo
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8831554/
https://www.ncbi.nlm.nih.gov/pubmed/35145153
http://dx.doi.org/10.1038/s41598-022-06188-6
work_keys_str_mv AT haulekristjan singleparticleexcitationsintheuniformelectrongasbydiagrammaticmontecarlo
AT chenkun singleparticleexcitationsintheuniformelectrongasbydiagrammaticmontecarlo