Literature DB >> 33722004

Path-integral calculation of the fourth virial coefficient of helium isotopes.

Giovanni Garberoglio1, Allan H Harvey2.   

Abstract

We use the path-integral Monte Carlo (PIMC) method and state-of-the-art two-body and three-body potentials to calculate the fourth virial coefficients D(T) of 4He and 3He as functions of temperature from 2.6 K to 2000 K. We derive expressions for the contributions of exchange effects due to the bosonic or fermionic nature of the helium isotope; these effects have been omitted from previous calculations. The exchange effects are relatively insignificant for 4He at the temperatures considered, but for 3He, they are necessary for quantitative accuracy below about 4 K. Our results are consistent with previous theoretical work (also with some of the limited and scattered experimental data) for 4He; for 3He, there are no experimental values, and this work provides the first values of D(T) calculated at this level. The uncertainty of the results depends on the statistical uncertainty of the PIMC calculation, the estimated effect of omitting four-body terms in the potential energy, and the uncertainty contribution propagated from the uncertainty of the potentials. At low temperatures, the uncertainty is dominated by the statistical uncertainty of the PIMC calculations, while at high temperatures, the uncertainties related to the three-body potential and omitted higher-order contributions become dominant.

Entities:  

Year:  2021        PMID: 33722004      PMCID: PMC8358982          DOI: 10.1063/5.0043446

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  15 in total

1.  Effects of adiabatic, relativistic, and quantum electrodynamics interactions on the pair potential and thermophysical properties of helium.

Authors:  Wojciech Cencek; Michał Przybytek; Jacek Komasa; James B Mehl; Bogumił Jeziorski; Krzysztof Szalewicz
Journal:  J Chem Phys       Date:  2012-06-14       Impact factor: 3.488

2.  Sensitivity of the thermal and acoustic virial coefficients of argon to the argon interaction potential.

Authors:  Jonas Wiebke; Elke Pahl; Peter Schwerdtfeger
Journal:  J Chem Phys       Date:  2012-08-14       Impact factor: 3.488

3.  Highly-accurate density-virial-coefficient values for helium, neon, and argon at 0.01 C determined by dielectric-constant gas thermometry.

Authors:  Christof Gaiser; Bernd Fellmuth
Journal:  J Chem Phys       Date:  2019-04-07       Impact factor: 3.488

4.  Erratum: "Path-integral calculation of the third virial coefficient of quantum gases at low temperatures" [J. Chem. Phys. 134, 134106 (2011)].

Authors:  Giovanni Garberoglio; Allan H Harvey
Journal:  J Chem Phys       Date:  2020-05-21       Impact factor: 3.488

5.  Path-integral Mayer-sampling calculations of the quantum Boltzmann contribution to virial coefficients of helium-4.

Authors:  Katherine R S Shaul; Andrew J Schultz; David A Kofke
Journal:  J Chem Phys       Date:  2012-11-14       Impact factor: 3.488

6.  Three-body nonadditive potential for argon with estimated uncertainties and third virial coefficient.

Authors:  Wojciech Cencek; Giovanni Garberoglio; Allan H Harvey; Mark O McLinden; Krzysztof Szalewicz
Journal:  J Phys Chem A       Date:  2013-05-28       Impact factor: 2.781

7.  Refractive-index gas thermometry.

Authors:  Patrick M C Rourke; Christof Gaiser; Bo Gao; Daniele Madonna Ripa; Michael R Moldover; Laurent Pitre; Robin J Underwood
Journal:  Metrologia       Date:  2019       Impact factor: 3.157

8.  Polarizability of Helium, Neon, and Argon: New Perspectives for Gas Metrology.

Authors:  Christof Gaiser; Bernd Fellmuth
Journal:  Phys Rev Lett       Date:  2018-03-23       Impact factor: 9.161

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

Authors:  Giovanni Garberoglio; Michael R Moldover; Allan H Harvey
Journal:  J Res Natl Inst Stand Technol       Date:  2011-08-01

10.  First-Principles Calculation of the Third Virial Coefficient of Helium.

Authors:  Giovanni Garberoglio; Allan H Harvey
Journal:  J Res Natl Inst Stand Technol       Date:  2009-10-01
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