rice_1992#
J. E. Rice, “Frequency-dependent hyperpolarizabilities for argon, krypton, and neon: Comparison with experiment”, J. Chem. Phys. 96, 7580 (1992)
Source record · Catalogue · Review register
DOI: 10.1063/1.462410
Source kind: theory
Recorded technique: SCF and MP2 (all electrons correlated) frequency-dependent hyperpolarizabilities: analytic frequency-dependent beta(-w; w, 0) and beta(-2w; w, w), differentiated by a finite static field (0.001 a.u.) to give gamma(-w; w, 0, 0) and gamma(-2w; w, w, 0), in the ANO basis sets of rice_1991 (Sec. II, p. 7581); CADPAC. Kleinman symmetry assumed for the components (tested: < 0.3 % (Ar), < 0.5 % (Kr) at omega = 0.10 a.u., p. 7581).
Materials in structured entries: Ar, Kr, Ne
Dataset quantities: hyperpolarizability
Contents: 27 datasets; 0 formulas.
Curation notes#
Identity: pdf page 1 is the publisher’s cover; journal pages 7580-7586 = pdf pages 2-8. Page numbers below are journal pages.
CONVENTION (Eq. 1, p. 7580): the dipole in E = E_0 + E_w cos wt as a Taylor series with the terms (1/2) gamma(-w; w, 0, 0) E_w E_0 E_0 cos wt, (1/8) gamma(-w; w, -w, w) E_w^3 cos wt, (1/4) gamma(-2w; w, w, 0) E_w^2 E_0 cos 2wt, (1/24) gamma(-3w; w, w, w) E_w^3 cos 3wt (equation image checked; the library’s text rendering garbles the ESHG and THG arguments). These are 1/6 K with K = 3, 3/4, 3/2, 1/4 of Shelton and Rice’s Table I: the Taylor-series (T) convention, same static limit for every process. Atomic units. Part electronic (atoms; ‘there is obviously no vibrational contribution’, p. 7580).
COMPONENTS (p. 7581): gamma_par(-2w; w, w, 0) = (1/5)(3 zzzz + 4 zzxx + 2 zxxz) (the ESHG gamma_par); gamma^K(-w; w, 0, 0) = (3/2)(gamma_par^K - gamma_perp^K), the dc Kerr gamma. With Kleinman symmetry assumed both equal gamma_zzzz of the process. Recorded as component ‘parallel’ (ESHG) and ‘K’ (dc Kerr). The dc Kerr gamma^K is the process dc_kerr; no intensity-dependent-index (kerr) values are given.
DATASETS FROM TABLES I-III (p. 7582, 7585; images checked): SCF and MP2 gamma^K and gamma_par(ESHG) of Ar, Kr, Ne at omega = 0-0.10 a.u. (hartree; the tables also print the wavelength in angstrom, 45 563 ... 4556 = 455.6335/omega). Structural fix of Table I’s merged header in the script. ERRATA: Table II’s Kr SCF gamma^K at 0.09 and 0.10 a.u. are printed 2618 and 2541 (image checked), i.e. swapped: the row must increase monotonically (increments 47, 57, then 67 and 77 after the swap) and the MP2/SCF ratio is 1.206, 1.205, 1.204 at 0.08-0.10 after the swap (1.170, 1.240 as printed); a cubic fit in omega_L^2 then gives A = 7.39, as the text’s ‘SCF (7.4)’ for krypton (p. 7584), against 2.49 as printed (checked 2026-09-26). The alpha-bar rows are linear data, not extracted.
A COEFFICIENTS (Eq. 2, gamma_par = gamma_0 [1 + A w_L^2 + B w_L^4 + C w_L^6], w_L^2 = 6 w^2 (ESHG), 2 w^2 (dc Kerr), in a.u.; fitted by the author over omega = 0.01-0.1 a.u., truncated at w_L^6): Ar MP2 5.5 (Kerr), 5.4 (SHG), SCF 5.6, 5.6, ‘the value of 5.1 deduced from the experimental SHG measurements’ (p. 7584); Kr MP2 7.2, SCF 7.4, experiment 6.7 (p. 7584); Ne 2.3-2.4 for both methods and processes, experiment -9.3 (from the measurements later found in error, p. 7586). B and C are not printed, so no [[formulas]] entry: the A values are for comparison (Shelton’s A in cm^2 = A / 219474.63^2, e.g. 5.4 -> 1.12e-10 cm^2). Refitted here from the tables: Ar MP2 5.46 (ESHG), 5.60 (Kerr); Kr MP2 7.15, 7.11; Ne MP2 2.40, 2.59 (checked 2026-09-26).
BEST ESTIMATES (text; datasets best_*): the rice_1991 static best estimates (Ar 1220, Kr 2810) and rice_1992_neon’s (Ne 110 +- 3) times the MP2 dispersion ratio (a ‘percentage’ correction; the additive alternative is given for Kr). Reproduced here from Tables I-III by a cubic fit in w_L^2: Ar 1269.0, 1296.4 (printed 1269, 1296 at 1319, 1064 nm), 1410.8 (1410 at 694.3 nm), 1441.2 (1440 at 650 nm), dc Kerr 1292.2 (1292 at 632.8 nm); Kr 2958.9, 3043.5 (2959, 3044; additive 2954.0, 3035.8 against 2954, 3036); Ne 111.9, 113.0, 117.2, 123.7 (111.8, 112.8, 117, 123.6 with gamma_0 = 110: within the rounding of Table III’s MP2 values); Ne dc Kerr 112.8 (113). The Kr dc Kerr value ‘theoretical value of 2930 +- 130 a.u.’ at 632.8 nm (p. 7584) is the UNADJUSTED MP2 gamma^K at 632.8 nm (2930.3 from Table II): adjusted to 2810 it would be 3031 (percentage) or 3023 (additive). Recorded as printed, flagged (TC-244). The wavelengths are the laser lines as printed (nm; air or vacuum not stated, recorded as vacuum: 0.03 % in omega changes these gammas by < 1e-4 of themselves).
REPRODUCED EXPERIMENTAL VALUES (text; datasets expt_*): ESHG, Shelton, Phys. Rev. A 42, 2578 (1990) = shelton_1990: Ar 1220 +- 7 (1319 nm), 1237 +- 4 (1064), 1400 +- 8 (650); Kr 2721 +- 6, 2845 +- 8; Ne 111.1 +- 0.8, 109.9 +- 0.5. ESHG, Finn and Ward, Phys. Rev. Lett. 26, 285 (1971) (not in the library): Ar 1355 +- 43, Ne 120 +- 4 at 694.3 nm. Ne 122.2 +- 0.5 at 514.5 nm: Shelton, personal communication (1991; the revision of his neon data, extrapolated static value 108 +- 2). dc Kerr, Buckingham and Dunmur, printed ‘Trans. Faraday Soc. 64, 1987 (1968)’ (= buckingham_1968, 64, 1776; see rice_1991): Ar 1070 +- 80, Kr 2780 +- 200, Ne 101 +- 8 at 632.8 nm. Ratios quoted: Ar:He ESHG 29.0 vs 27.8 (1319 nm), 29.2 vs 28.0 (1064 nm); Kr:Ar 2.33, 2.35 vs 2.24, 2.30 (theory vs experiment; quotients, not recorded).
Recorded bibliographic identity status: VALIDATED_WITH_WARNINGS. This concerns identification of the source; it does not establish the scientific correctness of its contents.
Datasets#
rice_1992/scf_dc_kerr_Ar#
{
"id": "scf_dc_kerr_Ar",
"material": "Ar",
"file": "Ar/rice_1992__scf_dc_kerr_Ar.csv",
"table": "tbl_0346004ae107",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
Table I, SCF gamma^K(-w; w, 0, 0) (dc Kerr), omega = 0-0.10 a.u.; the omega = 0 row is the static value. SCF: about 20 % (Ar) to 40 % (Ne) below the correlated gamma.
rice_1992/scf_eshg_Ar#
{
"id": "scf_eshg_Ar",
"material": "Ar",
"file": "Ar/rice_1992__scf_eshg_Ar.csv",
"table": "tbl_0346004ae107",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
Table I, SCF gamma_par(-2w; w, w, 0) (ESHG), omega = 0-0.10 a.u.; the omega = 0 row is the static value. SCF: about 20 % (Ar) to 40 % (Ne) below the correlated gamma.
rice_1992/mp2_dc_kerr_Ar#
{
"id": "mp2_dc_kerr_Ar",
"material": "Ar",
"file": "Ar/rice_1992__mp2_dc_kerr_Ar.csv",
"table": "tbl_0346004ae107",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
Table I, MP2 gamma^K(-w; w, 0, 0) (dc Kerr), omega = 0-0.10 a.u.; the omega = 0 row is the static value. MP2 with all electrons correlated; its static value is the rice_1991 best estimate within 3 a.u. for Ar and Ne, 93 a.u. below it for Kr (p. 7582).
rice_1992/mp2_eshg_Ar#
{
"id": "mp2_eshg_Ar",
"material": "Ar",
"file": "Ar/rice_1992__mp2_eshg_Ar.csv",
"table": "tbl_0346004ae107",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
Table I, MP2 gamma_par(-2w; w, w, 0) (ESHG), omega = 0-0.10 a.u.; the omega = 0 row is the static value. MP2 with all electrons correlated; its static value is the rice_1991 best estimate within 3 a.u. for Ar and Ne, 93 a.u. below it for Kr (p. 7582).
rice_1992/scf_dc_kerr_Kr#
{
"id": "scf_dc_kerr_Kr",
"material": "Kr",
"file": "Kr/rice_1992__scf_dc_kerr_Kr.csv",
"table": "tbl_8eb3fba4bcde",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
Table II, SCF gamma^K(-w; w, 0, 0) (dc Kerr), omega = 0-0.10 a.u.; the omega = 0 row is the static value. Rows 0.09 and 0.10 corrected by errata (swapped in print). SCF: about 20 % (Ar) to 40 % (Ne) below the correlated gamma.
rice_1992/scf_eshg_Kr#
{
"id": "scf_eshg_Kr",
"material": "Kr",
"file": "Kr/rice_1992__scf_eshg_Kr.csv",
"table": "tbl_8eb3fba4bcde",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
Table II, SCF gamma_par(-2w; w, w, 0) (ESHG), omega = 0-0.10 a.u.; the omega = 0 row is the static value. SCF: about 20 % (Ar) to 40 % (Ne) below the correlated gamma.
rice_1992/mp2_dc_kerr_Kr#
{
"id": "mp2_dc_kerr_Kr",
"material": "Kr",
"file": "Kr/rice_1992__mp2_dc_kerr_Kr.csv",
"table": "tbl_8eb3fba4bcde",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
Table II, MP2 gamma^K(-w; w, 0, 0) (dc Kerr), omega = 0-0.10 a.u.; the omega = 0 row is the static value. MP2 with all electrons correlated; its static value is the rice_1991 best estimate within 3 a.u. for Ar and Ne, 93 a.u. below it for Kr (p. 7582).
rice_1992/mp2_eshg_Kr#
{
"id": "mp2_eshg_Kr",
"material": "Kr",
"file": "Kr/rice_1992__mp2_eshg_Kr.csv",
"table": "tbl_8eb3fba4bcde",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
Table II, MP2 gamma_par(-2w; w, w, 0) (ESHG), omega = 0-0.10 a.u.; the omega = 0 row is the static value. MP2 with all electrons correlated; its static value is the rice_1991 best estimate within 3 a.u. for Ar and Ne, 93 a.u. below it for Kr (p. 7582).
rice_1992/scf_dc_kerr_Ne#
{
"id": "scf_dc_kerr_Ne",
"material": "Ne",
"file": "Ne/rice_1992__scf_dc_kerr_Ne.csv",
"table": "tbl_0f061820910a",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
Table III, SCF gamma^K(-w; w, 0, 0) (dc Kerr), omega = 0-0.10 a.u.; the omega = 0 row is the static value. SCF: about 20 % (Ar) to 40 % (Ne) below the correlated gamma.
rice_1992/scf_eshg_Ne#
{
"id": "scf_eshg_Ne",
"material": "Ne",
"file": "Ne/rice_1992__scf_eshg_Ne.csv",
"table": "tbl_0f061820910a",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
Table III, SCF gamma_par(-2w; w, w, 0) (ESHG), omega = 0-0.10 a.u.; the omega = 0 row is the static value. SCF: about 20 % (Ar) to 40 % (Ne) below the correlated gamma.
rice_1992/mp2_dc_kerr_Ne#
{
"id": "mp2_dc_kerr_Ne",
"material": "Ne",
"file": "Ne/rice_1992__mp2_dc_kerr_Ne.csv",
"table": "tbl_0f061820910a",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
Table III, MP2 gamma^K(-w; w, 0, 0) (dc Kerr), omega = 0-0.10 a.u.; the omega = 0 row is the static value. MP2 with all electrons correlated; its static value is the rice_1991 best estimate within 3 a.u. for Ar and Ne, 93 a.u. below it for Kr (p. 7582).
rice_1992/mp2_eshg_Ne#
{
"id": "mp2_eshg_Ne",
"material": "Ne",
"file": "Ne/rice_1992__mp2_eshg_Ne.csv",
"table": "tbl_0f061820910a",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "hartree",
"use": "check",
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
Table III, MP2 gamma_par(-2w; w, w, 0) (ESHG), omega = 0-0.10 a.u.; the omega = 0 row is the static value. MP2 with all electrons correlated; its static value is the rice_1991 best estimate within 3 a.u. for Ar and Ne, 93 a.u. below it for Kr (p. 7582).
rice_1992/best_eshg_Ar#
{
"id": "best_eshg_Ar",
"material": "Ar",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "check",
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
4 inline points in the source record.
pp. 7583-7584: the static best estimate 1220 (rice_1991) with the MP2 percentage dispersion: ‘the best estimates would be 1270 +- 40 and 1300 +- 40 a.u.’ at 1319 and 1064 nm (unrounded 1269, 1296), ‘the theoretical value of 1440 +- 40 a.u.’ (650 nm) and ‘the calculated value of 1410 +- 40 a.u.’ (694.3 nm). The author expects MP2 to underestimate the dispersion at the higher frequencies (p. 7584). Uncertainty: the author’s ‘conservative total error estimate of 40 a.u.’.
rice_1992/best_dc_kerr_Ar#
{
"id": "best_dc_kerr_Ar",
"material": "Ar",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "check",
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
1 inline points in the source record.
p. 7584: ‘the theoretical value is somewhat higher (1292 a.u.)’ than Buckingham and Dunmur’s dc Kerr 1070 +- 80 at 632.8 nm. No uncertainty printed.
rice_1992/best_eshg_Kr#
{
"id": "best_eshg_Kr",
"material": "Kr",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "check",
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
2 inline points in the source record.
p. 7584: 2810 (rice_1991) with the MP2 percentage (additive) dispersion, ‘2959(2954) and 3044(3036) a.u.’ at 1319 and 1064 nm, rounded to ‘2960 +- 130’ and ‘3040 +- 130’ (including 40 a.u., 25 %, for the frequency-dependent part).
rice_1992/best_dc_kerr_Kr#
{
"id": "best_dc_kerr_Kr",
"material": "Kr",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "check",
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
1 inline points in the source record.
p. 7584: ‘the theoretical value of 2930 +- 130 a.u.’ at 632.8 nm. It equals the unadjusted MP2 gamma^K of Table II at 632.8 nm (2930.3, cubic fit); scaled to the static best estimate 2810 it would be 3031 (see the source notes, TC-244). As printed.
rice_1992/best_eshg_Ne#
{
"id": "best_eshg_Ne",
"material": "Ne",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "check",
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
4 inline points in the source record.
pp. 7585-7586: the static best estimate 110 +- 3 (rice_1992_neon) with the MP2 percentage dispersion, 111.8, 112.8, 123.6 a.u. unrounded (1319, 1064, 514.5 nm), ‘with error bars assigned are 112 +- 3 ..., 113 +- 3 ..., and 124 +- 4 a.u.’; 117 +- 3 at 694.3 nm (p. 7586). The same values are in the rice_1992_neon manuscript, which cites this paper for the MP2 dispersion.
rice_1992/best_dc_kerr_Ne#
{
"id": "best_dc_kerr_Ne",
"material": "Ne",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "check",
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
1 inline points in the source record.
p. 7586: ‘the calculated value of 113 +- 3 a.u.’ for gamma^K at 632.8 nm (also in rice_1992_neon).
rice_1992/expt_eshg_Ar#
{
"id": "expt_eshg_Ar",
"material": "Ar",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"shelton_1990"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
3 inline points in the source record.
pp. 7583-7584: Shelton’s measurements (Ref. 1), relative to Bishop and Pipin’s He.
rice_1992/expt_eshg_finn_ward#
{
"id": "expt_eshg_finn_ward",
"material": "Ar",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"R. S. Finn and J. F. Ward, Phys. Rev. Lett. 26, 285 (1971)"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
1 inline points in the source record.
p. 7584: ‘the earlier experimental value of 1355 +- 43 a.u.’ at 694.3 nm (Ref. 8).
rice_1992/expt_dc_kerr_Ar#
{
"id": "expt_dc_kerr_Ar",
"material": "Ar",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"buckingham_1968"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
1 inline points in the source record.
p. 7584: Buckingham and Dunmur’s dc Kerr gamma^K, 1070 +- 80 a.u. at 632.8 nm (Ref. 27, printed ‘Trans. Faraday Soc. 64, 1987 (1968)’).
rice_1992/expt_eshg_Kr#
{
"id": "expt_eshg_Kr",
"material": "Kr",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"shelton_1990"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
2 inline points in the source record.
p. 7584: Shelton’s measurements (Ref. 1), relative to argon.
rice_1992/expt_dc_kerr_Kr#
{
"id": "expt_dc_kerr_Kr",
"material": "Kr",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"buckingham_1968"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
1 inline points in the source record.
p. 7584: ‘The Kerr effect measurement for gamma^K(-w; w, 0, 0) of 2780 +- 200 a.u. at lambda = 632.8 nm’ (Ref. 27).
rice_1992/expt_eshg_Ne#
{
"id": "expt_eshg_Ne",
"material": "Ne",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"shelton_1990"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
2 inline points in the source record.
p. 7585: Shelton’s values at 1319 and 1064 nm (Ref. 1).
rice_1992/expt_eshg_Ne_revised#
{
"id": "expt_eshg_Ne_revised",
"material": "Ne",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"D. P. Shelton, personal communication and Fourth North American Chemical Congress (ACS), August 1991 (Ref. 28)"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
1 inline points in the source record.
p. 7585: ‘The revised value for lambda = 514.5 nm of 122.2 +- 0.5 a.u.’ after Shelton found ‘a systematic error in some of the frequency-dependent measurements for neon at wavelengths of 594.4, 514.5, and 488.0 nm’ (Ref. 28, personal communication; published later by Shelton, the corrected neon dispersion, shelton_1992).
rice_1992/expt_eshg_Ne_finn_ward#
{
"id": "expt_eshg_Ne_finn_ward",
"material": "Ne",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"R. S. Finn and J. F. Ward, Phys. Rev. Lett. 26, 285 (1971)"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "eshg",
"convention": "T",
"part": "electronic",
"component": "parallel"
}
}
1 inline points in the source record.
p. 7586: ‘the earlier experimental value of 120 +- 4 a.u.’ at 694.3 nm (Ref. 8).
rice_1992/expt_dc_kerr_Ne#
{
"id": "expt_dc_kerr_Ne",
"material": "Ne",
"table": "text",
"quantity": "hyperpolarizability",
"unit": "au",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"buckingham_1968"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"process": "dc_kerr",
"convention": "T",
"part": "electronic",
"component": "K"
}
}
1 inline points in the source record.
p. 7586: ‘The Kerr effect measurement, gamma^K(-w; w, 0, 0) at lambda = 632.8 nm (Ref. 27) of 101 +- 8 a.u.’.
Formulas#
No formulas are recorded.
Corrections#
[
{
"dataset": "scf_dc_kerr_Kr",
"row": "0.09",
"column": "value",
"printed": "2618",
"corrected": "2541",
"reason": "Table II's Kr SCF gamma^K values at omega = 0.09 and 0.10 a.u. are printed in swapped order (2618, 2541; image checked).",
"evidence": "After the swap the row increases monotonically with smooth increments (57, 67, 77), the MP2/SCF ratio is 1.206, 1.205, 1.204 at 0.08-0.10 a.u. (1.170, 1.240 as printed), and a cubic fit in omega_L^2 gives A = 7.39, the text's 'SCF (7.4)' for krypton (p. 7584), against 2.49 as printed. Checked 2026-09-26."
},
{
"dataset": "scf_dc_kerr_Kr",
"row": "0.10",
"column": "value",
"printed": "2541",
"corrected": "2618",
"reason": "The other half of the swap (see the erratum for row 0.09).",
"evidence": "As for row 0.09."
}
]
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.