Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces

Giovanni Garberoglio, Allan H. Harvey, Jakub Lang, Michal Przybytek, Michal Lesiuk, Bogumil Jeziorski
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Abstract

We develop a surface for the electric dipole moment of three interacting helium atoms and use it, together with state-of-the-art potential and polarizability surfaces, to compute the third dielectric virial coefficient, $C_\varepsilon$, for both $^4$He and $^3$He isotopes. Our results agree with previously published data computed using an approximated form for the three-body polarizability, and are extended to the low-temperature regime by including exchange effects. Additionally, the uncertainty of $C_\varepsilon$ is rigorously determined for the first time by propagating the uncertainties of the potential and polarizability surfaces; this uncertainty is much larger than the contribution from the dipole-moment surface to $C_\varepsilon$. Our results compare reasonably well with the limited experimental data. The first-principles values of $C_\epsilon$ computed in this work will enhance the accuracy of primary temperature and pressure metrology based on measurements of the dielectric constant of helium.
基于三体极化性和偶极面的氦第三介电常数的路径积分计算
我们为三个相互作用氦原子的电偶极矩开发了一个表面,并利用它与最先进的电势和极化率表面一起计算了 $^4$He 和 $^3$He 同位素的第三介电常数系数 $C_\varepsilon$。我们的结果与之前公布的使用三体极化率近似形式计算的数据一致,并且通过包括交换效应扩展到了低温体系。此外,通过传播电位面和极化率面的不确定性,我们首次确定了$C_\varepsilon$的不确定性;这种不确定性远远大于偶极矩面对$C_\varepsilon$的贡献。我们的结果与有限的实验数据比较合理。这项工作中计算出的 $C_\epsilon$ 的第一原理值将提高基于氦介电常数测量的初级温度和压力计量的准确性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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