Accurate internal energy of argon fluid from a state-of-the-art ab initio potential with uncertainty estimations

Luo, Qing-Yao; Song, Bo

doi:10.1016/j.molliq.2019.110980

Cited by 4 publications

(1 citation statement)

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“…with the uncertainty information to investigate the second dielectric virial coefficient of helium4, helium3, neon, and argon. It should be also noted that the detailed information on the uncertainty of the argon potential were not given by Patkowski and Szalewicz in their publication [17], but are pro vided in one recently published paper of us [22].…”

Section: Ab Initio Potentials and Polarizabilitiesmentioning

confidence: 99%

Accurate second dielectric virial coefficient of helium, neon, and argon from ab initio potentials and polarizabilities

Song

Luo

2020

Metrologia

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The stateoftheart ab initio potentials and interactioninduced isotropic polarizabilities in the literature are used to calculate the second dielectric virial coefficient of helium4, helium3, neon, and argon. The statisticalmechanics formulations with quantum corrections up to second order as well as the [1/1] Padé approximant are employed to compute the dielectric virial coefficient down to the temperature of 25 K. The uncertainties of the calculated dielectric virial coefficient values are evaluated from the corresponding estimated uncertainties of the potentials and the polarizabilities. In addition, the second dielectric virial coefficient of helium4 is determined by the principle of analogy for the temperature further down to 5 K. The comparisons with the available experimental and theoretical data demonstrate that our results given in the supplementary materials are more accurate and can be used as recommended values in scientific studies relating to the dielectric virial coefficient of helium, neon, and argon.

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Section: Ab Initio Potentials and Polarizabilitiesmentioning

confidence: 99%