rice_1992
=========

J\. E\. Rice, "Frequency\-dependent hyperpolarizabilities for argon, krypton, and neon\: Comparison with experiment", J\. Chem\. Phys\. 96, 7580 \(1992\)

`Source record <https://github.com/LupoLab/optmat/blob/main/src/optmat/data/sources/rice_1992.toml>`__ · :doc:`Catalogue </the-data/sources>` · :doc:`Review register </register>`

DOI: `10\.1063/1\.462410 <https://doi.org/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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "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
-----------

.. code-block:: text

   [
     {
       "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 :doc:`review register </register>` for the checks and decisions.