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Improved First-Principles Calculation of the Third Virial Coefficient of Helium

We employ state-of-the-art pair and three-body potentials with path-integral Monte Carlo (PIMC) methods to calculate the third density virial coefficient C(T) for helium. The uncertainties are much smaller than those of the best experimental results, and approximately one-fourth the uncertainty of o...

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Detalles Bibliográficos
Autores principales: Garberoglio, Giovanni, Moldover, Michael R., Harvey, Allan H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: [Gaithersburg, MD] : U.S. Dept. of Commerce, National Institute of Standards and Technology 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4550331/
https://www.ncbi.nlm.nih.gov/pubmed/26989595
http://dx.doi.org/10.6028/jres.116.016
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author Garberoglio, Giovanni
Moldover, Michael R.
Harvey, Allan H.
author_facet Garberoglio, Giovanni
Moldover, Michael R.
Harvey, Allan H.
author_sort Garberoglio, Giovanni
collection PubMed
description We employ state-of-the-art pair and three-body potentials with path-integral Monte Carlo (PIMC) methods to calculate the third density virial coefficient C(T) for helium. The uncertainties are much smaller than those of the best experimental results, and approximately one-fourth the uncertainty of our previous work. We have extended our results in temperature down to 2.6 K, incorporating the effect of spin statistics that become important below approximately 7 K. Results are given for both the (3)He and (4)He isotopes. We have also performed PIMC calculations of the third acoustic virial coefficient γ(a); our calculated values compare well with the limited experimental data available. A correlating equation for C(T) of (4)He is presented; differentiation of this equation provides a reliable and simpler way of calculating γ(a).
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spelling pubmed-45503312016-03-17 Improved First-Principles Calculation of the Third Virial Coefficient of Helium Garberoglio, Giovanni Moldover, Michael R. Harvey, Allan H. J Res Natl Inst Stand Technol Article We employ state-of-the-art pair and three-body potentials with path-integral Monte Carlo (PIMC) methods to calculate the third density virial coefficient C(T) for helium. The uncertainties are much smaller than those of the best experimental results, and approximately one-fourth the uncertainty of our previous work. We have extended our results in temperature down to 2.6 K, incorporating the effect of spin statistics that become important below approximately 7 K. Results are given for both the (3)He and (4)He isotopes. We have also performed PIMC calculations of the third acoustic virial coefficient γ(a); our calculated values compare well with the limited experimental data available. A correlating equation for C(T) of (4)He is presented; differentiation of this equation provides a reliable and simpler way of calculating γ(a). [Gaithersburg, MD] : U.S. Dept. of Commerce, National Institute of Standards and Technology 2011 2011-08-01 /pmc/articles/PMC4550331/ /pubmed/26989595 http://dx.doi.org/10.6028/jres.116.016 Text en https://creativecommons.org/publicdomain/zero/1.0/ The Journal of Research of the National Institute of Standards and Technology is a publication of the U.S. Government. The papers are in the public domain and are not subject to copyright in the United States. Articles from J Res may contain photographs or illustrations copyrighted by other commercial organizations or individuals that may not be used without obtaining prior approval from the holder of the copyright.
spellingShingle Article
Garberoglio, Giovanni
Moldover, Michael R.
Harvey, Allan H.
Improved First-Principles Calculation of the Third Virial Coefficient of Helium
title Improved First-Principles Calculation of the Third Virial Coefficient of Helium
title_full Improved First-Principles Calculation of the Third Virial Coefficient of Helium
title_fullStr Improved First-Principles Calculation of the Third Virial Coefficient of Helium
title_full_unstemmed Improved First-Principles Calculation of the Third Virial Coefficient of Helium
title_short Improved First-Principles Calculation of the Third Virial Coefficient of Helium
title_sort improved first-principles calculation of the third virial coefficient of helium
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4550331/
https://www.ncbi.nlm.nih.gov/pubmed/26989595
http://dx.doi.org/10.6028/jres.116.016
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