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Path integral Monte Carlo approach to the structural properties and collective excitations of liquid [Formula: see text] without fixed nodes

Due to its nature as a strongly correlated quantum liquid, ultracold helium is characterized by the nontrivial interplay of different physical effects. Bosonic [Formula: see text] exhibits superfluidity and Bose-Einstein condensation. Its physical properties have been accurately determined on the ba...

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Autores principales: Dornheim, Tobias, Moldabekov, Zhandos A., Vorberger, Jan, Militzer, Burkhard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8758733/
https://www.ncbi.nlm.nih.gov/pubmed/35027602
http://dx.doi.org/10.1038/s41598-021-04355-9
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author Dornheim, Tobias
Moldabekov, Zhandos A.
Vorberger, Jan
Militzer, Burkhard
author_facet Dornheim, Tobias
Moldabekov, Zhandos A.
Vorberger, Jan
Militzer, Burkhard
author_sort Dornheim, Tobias
collection PubMed
description Due to its nature as a strongly correlated quantum liquid, ultracold helium is characterized by the nontrivial interplay of different physical effects. Bosonic [Formula: see text] exhibits superfluidity and Bose-Einstein condensation. Its physical properties have been accurately determined on the basis of ab initio path integral Monte Carlo (PIMC) simulations. In contrast, the corresponding theoretical description of fermionic [Formula: see text] is severely hampered by the notorious fermion sign problem, and previous PIMC results have been derived by introducing the uncontrolled fixed-node approximation. In this work, we present extensive new PIMC simulations of normal liquid [Formula: see text] without any nodal constraints. This allows us to to unambiguously quantify the impact of Fermi statistics and to study the effects of temperature on different physical properties like the static structure factor [Formula: see text] , the momentum distribution [Formula: see text] , and the static density response function [Formula: see text] . In addition, the dynamic structure factor [Formula: see text] is rigorously reconstructed from imaginary-time PIMC data. From simulations of [Formula: see text] , we derived the familiar phonon–maxon–roton dispersion function that is well-known for [Formula: see text] and has been reported previously for two-dimensional [Formula: see text] films (Nature 483:576–579 (2012)). The comparison of our new results for both [Formula: see text] and [Formula: see text] with neutron scattering measurements reveals an excellent agreement between theory and experiment.
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spelling pubmed-87587332022-01-14 Path integral Monte Carlo approach to the structural properties and collective excitations of liquid [Formula: see text] without fixed nodes Dornheim, Tobias Moldabekov, Zhandos A. Vorberger, Jan Militzer, Burkhard Sci Rep Article Due to its nature as a strongly correlated quantum liquid, ultracold helium is characterized by the nontrivial interplay of different physical effects. Bosonic [Formula: see text] exhibits superfluidity and Bose-Einstein condensation. Its physical properties have been accurately determined on the basis of ab initio path integral Monte Carlo (PIMC) simulations. In contrast, the corresponding theoretical description of fermionic [Formula: see text] is severely hampered by the notorious fermion sign problem, and previous PIMC results have been derived by introducing the uncontrolled fixed-node approximation. In this work, we present extensive new PIMC simulations of normal liquid [Formula: see text] without any nodal constraints. This allows us to to unambiguously quantify the impact of Fermi statistics and to study the effects of temperature on different physical properties like the static structure factor [Formula: see text] , the momentum distribution [Formula: see text] , and the static density response function [Formula: see text] . In addition, the dynamic structure factor [Formula: see text] is rigorously reconstructed from imaginary-time PIMC data. From simulations of [Formula: see text] , we derived the familiar phonon–maxon–roton dispersion function that is well-known for [Formula: see text] and has been reported previously for two-dimensional [Formula: see text] films (Nature 483:576–579 (2012)). The comparison of our new results for both [Formula: see text] and [Formula: see text] with neutron scattering measurements reveals an excellent agreement between theory and experiment. Nature Publishing Group UK 2022-01-13 /pmc/articles/PMC8758733/ /pubmed/35027602 http://dx.doi.org/10.1038/s41598-021-04355-9 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
Dornheim, Tobias
Moldabekov, Zhandos A.
Vorberger, Jan
Militzer, Burkhard
Path integral Monte Carlo approach to the structural properties and collective excitations of liquid [Formula: see text] without fixed nodes
title Path integral Monte Carlo approach to the structural properties and collective excitations of liquid [Formula: see text] without fixed nodes
title_full Path integral Monte Carlo approach to the structural properties and collective excitations of liquid [Formula: see text] without fixed nodes
title_fullStr Path integral Monte Carlo approach to the structural properties and collective excitations of liquid [Formula: see text] without fixed nodes
title_full_unstemmed Path integral Monte Carlo approach to the structural properties and collective excitations of liquid [Formula: see text] without fixed nodes
title_short Path integral Monte Carlo approach to the structural properties and collective excitations of liquid [Formula: see text] without fixed nodes
title_sort path integral monte carlo approach to the structural properties and collective excitations of liquid [formula: see text] without fixed nodes
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8758733/
https://www.ncbi.nlm.nih.gov/pubmed/35027602
http://dx.doi.org/10.1038/s41598-021-04355-9
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