Theoretical determination of polarizability and magnetic susceptibility of neon

Abstract

We report theoretical determination of the dipole polarizability of the neon atom, including its frequency dependence. Corrections for the relativistic, quantum electrodynamics, finite nuclear mass, and finite nuclear size effects are taken into account. We obtain the value ${\alpha }_0=2.66080(36)$ for the static polarizability, and ${\alpha }_2=2.850(7)$ and ${\alpha }_4=4.932(14)$ for the first two polarizability dispersion coefficients (Cauchy moments); all values are in atomic units (a.u.). In the case of static polarizability, our result agrees with the best experimental determination [C. Gaiser and B. Fellmuth, Phys. Rev. Lett. 120, 123203 (2018)], but our estimated uncertainty is significantly larger. For the dispersion coefficients, the results obtained in this work appear to be the most accurate to date overall compared to published theoretical and experimental data. We also calculated the static magnetic susceptibility of the neon atom, needed to obtain the refractive index of gaseous neon. Our result, ${\chi }_0=-8.484(19)\cdot 10^{-5}$ a.u., is about 9% larger in absolute value than the recommended experimental value [CRC Handbook of Chemistry and Physics, CRC Press, 2019, p. 4-145].

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Cited by in corpus (7)

• Ab initio Calculation of Fluid Properties for Precision Metrology
• First-principles calculation of the frequency-dependent dipole polarizability of argon
• Relativistic treatment of diamagnetic susceptibility of helium
• Atomic Bethe logarithm in the mean-field approximation
• Estimating complete basis set extrapolation error through random walk
• Diamagnetic susceptibility of neon and argon including leading relativistic effects
• Relativistic and Electron Correlation Effects in Static Dipole Polarizabilities for Main-Group Elements