gaiser_2010#

C. Gaiser and B. Fellmuth, Europhys. Lett. 90, 63002 (2010)

Source record · Catalogue · Review register

Source kind: measurement

Recorded technique: Dielectric-constant gas thermometry (DCGT) at PTB: the relative capacitance change gamma = eps_r - 1 + eps_r kappa_eff p of a gas-filled capacitor measured along isotherms at 26-36 K (seven pairs of helium and neon isotherms at identical temperatures, 7-19 points each), fitted by the third-order expansion p = A_1 (mu + A_2 mu^2 + A_3 mu^3) in mu = gamma/(gamma + 3) (Eq. (1)). Combining the helium and neon A_1 at the same temperature eliminates RT (Eq. (3)); the neon molar polarizability follows from the ab initio helium value (Lach et al. 2004). Very low measuring frequency: the static polarizability. Neon 99.9993 % (5 ppm He and 4 ppm H2 measured), helium 99.9999 % through a cold trap (pp. 2-3).

Materials in structured entries: Ne

Dataset quantities: molar_refractivity, polarizability

Contents: 6 datasets; 0 formulas.

Curation notes#

The molar polarizability is A_eps = N_A alpha_0 / (3 eps0) (p. 2), the package’s molar refractivity (unit cm3/mol, printed values x 1e-7 m^3/mol = 0.1 cm^3/mol: scale 0.1). It is a density-independent (zero-density) static quantity: the virial terms are in A_2, A_3 of the isotherm fit, which the paper does not report, so there is no refractivity virial coefficient to extract. alpha_0 in a.u. is derived ‘via the fundamental constants given in [10]’ (CODATA 2006): 3 A_eps/(4 pi N_A a0^3) gives 2.661098 for the mean (checked 2026-09-24; 2.661099 with CODATA 2018).

Uncertainty: ‘relative standard uncertainty of about 11 parts in 10^6’ (abstract); Table 2’s weighted mean has u_r = 10.6 ppm (one standard uncertainty). The weights are the inverse squared combined uncertainties; the type-B part ‘almost independent of temperature on the level of 8 ppm’ is common to all temperatures, which is why the mean’s 10.6 ppm exceeds the 8.5 ppm an independent average would give (recomputed 2026-09-24; the weighted mean itself reproduces, 9.947271). Table 1 gives the budgets at 26 and 36 K (67.2 and 16.8 ppm), not extracted.

Comparison values in the text (not in tables): Christiansen et al. (1998) non-relativistic CCSD(T) A_eps = 9.943(37) x 10^-7 m^3/mol; the authors’ rescaling of Klopper et al. (2004) to a quasi-FCI plus relativistic estimate, 9.950(08) x 10^-7 m^3/mol (uncertainty 7.5 x 10^-10 m^3/mol, private communication), and of Franke et al. (2001), 9.956(22) x 10^-7 m^3/mol (p. 5). Orcutt and Cole’s (1967) value deviates by about 0.3 % with a stated 0.1 % (p. 4), and their helium value deviates from theory by about 0.4 %, suggesting a systematic excess; shown in Fig. 2 only. The two optical He-Ne-laser measurements (Burns et al. 1986; Hohm and Kerl 1990) are shown in Fig. 2 only, transferred to static values with a correction of about -5.6 x 10^-9 m^3/mol from Klopper et al.’s frequency dependence (p. 4).

Recorded bibliographic identity status: VALIDATED. This concerns identification of the source; it does not establish the scientific correctness of its contents.

Datasets#

gaiser_2010/molar_polarizability#

{
  "id": "molar_polarizability",
  "material": "Ne",
  "file": "Ne/gaiser_2010__molar_polarizability.csv",
  "table": "tbl_7249e8b90cbe",
  "quantity": "molar_refractivity",
  "unit": "cm3/mol",
  "scale": 0.1,
  "abscissa_unit": "nm",
  "use": "primary",
  "uncertainty": {
    "relative": 1.06e-05,
    "level": "1 sigma"
  }
}

Table 2 ‘Weighted mean’: A_eps = 9.94727 x 10^-7 m^3/mol, static (DCGT at very low frequency), the paper’s result (abstract, p. 4).

gaiser_2010/molar_polarizability_by_temperature#

{
  "id": "molar_polarizability_by_temperature",
  "material": "Ne",
  "file": "Ne/gaiser_2010__molar_polarizability_by_temperature.csv",
  "table": "tbl_7249e8b90cbe",
  "quantity": "molar_refractivity",
  "unit": "cm3/mol",
  "scale": 0.1,
  "abscissa_unit": "nm",
  "use": "check",
  "uncertainty": {
    "relative": 0.00029,
    "level": "1 sigma",
    "relative_rows": {
      "26": 6.72e-05,
      "27": 3.19e-05,
      "28": 0.00029,
      "30": 2.61e-05,
      "32": 1.58e-05,
      "34": 1.69e-05,
      "36": 1.68e-05
    },
    "systematic_relative": 8e-06
  }
}

Table 2, the seven per-isotherm values (row ids are the temperatures T_i in K), whose weighted mean is molar_polarizability: a check, not fitted beside it. Per-row relative standard uncertainties from the u_r column; about 8 ppm of each is common type-B. relative = 290e-6 is only a fallback (the largest row): every row has its own value in relative_rows, but the loader counts an uncertainty as stated only when relative, absolute or column is set.

gaiser_2010/alpha_au#

{
  "id": "alpha_au",
  "material": "Ne",
  "file": "Ne/gaiser_2010__alpha_au.csv",
  "table": "tbl_7249e8b90cbe",
  "quantity": "polarizability",
  "unit": "au",
  "abscissa_unit": "nm",
  "use": "check",
  "uncertainty": {
    "relative": 1.06e-05,
    "level": "1 sigma"
  }
}

Table 2 ‘Weighted mean’, alpha_0 = 2.66110 a.u.: the same measurement as molar_polarizability converted with CODATA 2006 (reproduces, source notes); a check. Reproduced as 2.66110(3) by Lesiuk et al. 2020 and Wang et al. 2021.

gaiser_2010/christiansen_1998#

{
  "id": "christiansen_1998",
  "material": "Ne",
  "table": "text",
  "quantity": "molar_refractivity",
  "unit": "cm3/mol",
  "scale": 0.1,
  "abscissa_unit": "nm",
  "use": "reproduced",
  "reproduced_from": [
    "O. Christiansen, C. Hättig and J. Gauss, J. Chem. Phys. 109, 4745 (1998)"
  ],
  "uncertainty": {
    "column": true,
    "level": "not stated"
  }
}

1 inline points in the source record.

p. 5: ‘The final, non-relativistic estimate for A_eps^Ne = 9.943(37) x 10^-7 m^3/mol’ (CCSD(T)). Theory without relativistic corrections.

gaiser_2010/klopper_2004_rescaled#

{
  "id": "klopper_2004_rescaled",
  "material": "Ne",
  "table": "text",
  "quantity": "molar_refractivity",
  "unit": "cm3/mol",
  "scale": 0.1,
  "abscissa_unit": "nm",
  "use": "check",
  "reproduced_from": [
    "W. Klopper, S. Coriani, T. Helgaker and P. Jørgensen, J. Phys. B: At. Mol. Opt. Phys. 37, 3753 (2004)"
  ],
  "uncertainty": {
    "column": true,
    "level": "not stated"
  }
}

1 inline points in the source record.

p. 5: the authors’ quasi-FCI estimate from Klopper et al.’s CCSD(T) and CCSD[T] results (CCSD(T) + 1/9 of the difference, following Franke et al.) plus Klopper et al.’s relativistic corrections: 9.950(08) x 10^-7 m^3/mol, uncertainty 7.5 x 10^-10 m^3/mol (Klopper, private communication). Derived by Gaiser and Fellmuth from theory: a check.

gaiser_2010/franke_2001_rescaled#

{
  "id": "franke_2001_rescaled",
  "material": "Ne",
  "table": "text",
  "quantity": "molar_refractivity",
  "unit": "cm3/mol",
  "scale": 0.1,
  "abscissa_unit": "nm",
  "use": "check",
  "reproduced_from": [
    "R. Franke, H. Müller and J. Noga, J. Chem. Phys. 114, 7746 (2001)"
  ],
  "uncertainty": {
    "column": true,
    "level": "not stated"
  }
}

1 inline points in the source record.

p. 5: Franke et al.’s CCSD(T) and CCSD[T] data rescaled by the same one-ninth rule: 9.956(22) x 10^-7 m^3/mol. Derived by Gaiser and Fellmuth: a check. (Franke et al.’s own final estimate is shown in Fig. 2 only.)

Formulas#

No formulas are recorded.

Corrections#

No dataset errata are recorded in this source record.

Formula corrections, where recorded, appear with their formulas above. Curation notes may also discuss corrections or unresolved interpretation. Consult the review register for the checks and decisions.