kumar_1994
==========

A\. Kumar and W\. J\. Meath, "Reliable isotropic and anisotropic dipole properties, and dipolar dispersion energy coefficients, for CO evaluated using constrained dipole oscillator strength techniques", Chem\. Phys\. 189, 467 \(1994\)

`Source record <https://github.com/LupoLab/optmat/blob/main/src/optmat/data/sources/kumar_1994.toml>`__ · :doc:`Catalogue </the-data/sources>` · :doc:`Review register </register>`

DOI: `10\.1016/0301\-0104\(94\)00309\-2 <https://doi.org/10.1016/0301-0104%2894%2900309-2>`__

**Source kind:** compilation

**Recorded technique:** Constrained anisotropic dipole oscillator strength distributions\: the recommended isotropic CO DOSD of Jhanwar and Meath \(1982, jhanwar\_1982\) split into perpendicular \(Sigma \-\> Pi\) and parallel \(Sigma \-\> Sigma\) components, df^z/dE = \(1 \+ a\_i^z\) df/dE in each interval \(Eq\. \(20\)\), the a\_i^z fixed by constrained least squares to\: S\_2 and S\_1 components from Mulder and Meath's calculated anisotropy ratios with the isotropic DOSD values \(Eqs\. \(21\)\-\(22\)\); S\_0 = 14 each; S\_\-1^perp = 9\.025 and S\_\-1^par = 11\.13 \(adjusted so that the isotropic S\_k and L\_k agree with the isotropic DOSD, Eq\. \(24\)\); and alpha^perp = 12\.15 and alpha^par = 15\.74 a0^3 at 6328 A \(Eq\. \(25\)\), from Bridge and Buckingham's depolarization ratio \(0\.4800, error \<= 1 %\) and the isotropic DOSD's alpha\(6328 A\)\. Thresholds E\_perp = 8\.0278 and E\_par = 8\.0028 eV \(Huber and Herzberg\) \(pp\. 469\-470\)\. The properties are integrals over the component DOSDs \(Eqs\. \(1\)\-\(10\)\)\.

**Materials in structured entries:** CO

**Dataset quantities:** cauchy\_moment, depolarization\_ratio, polarizability, polarizability\_anisotropy, rayleigh\_cross\_section

**Contents:** 18 datasets; 2 formulas.

Curation notes
--------------

Values per molecule, atomic units unless stated \(alpha and gamma in a0^3\); electronic only, not vibrationally or rotationally averaged\. Isotropic P = \(2 P^perp \+ P^par\)/3 \(Eq\. \(6\)\); gamma = alpha^par \- alpha^perp \(Eq\. \(5\)\)\. The DOSD is constrained to refractivity \(through jhanwar\_1982\) and to Bridge and Buckingham's depolarization ratio\: its results are checks against those data, not independent of them\.

Table 1 \(p\. 471\)\: S\_k for k = 2, 1, 0, \-1/2, \-1, \-3/2, \-2, \-3, \-4, \-5, \-6, \-8\. Isotropic \(this work and Ref\. \[22\] = jhanwar\_1982\) extracted\. The components have no quantity in the vocabulary \(a format need\) and are given here as printed\: perpendicular 1\.380\(4\)b, 1\.417\(2\)b, 1\.400\(1\)b, 9\.718, 9\.025b, 9\.836, 1\.189\(1\), 2\.146\(1\), 4\.661\(1\), 1\.139\(2\), 3\.014\(2\), 2\.458\(3\); parallel 1\.376\(4\)b, 1\.381\(2\)b, 1\.400\(1\)b, 1\.093\(1\), 1\.113\(1\)b, 1\.270\(1\), 1\.546\(1\), 2\.628\(1\), 5\.156\(1\), 1\.136\(2\), 2\.757\(2\), 2\.009\(3\) \(b\: constraints\); so alpha^perp\(0\) = 11\.89 and alpha^par\(0\) = 15\.46 a0^3\. Errors \(note a\)\: \<~3 % for k = 2, \<~2 % for k = 1, \<~1 % for \-4 \<= k \< 1, increasing slowly for k \< \-4\. The isotropic S\_\-6 and S\_\-8 differ from jhanwar\_1982 by 1\.2 % and 3\.3 % \(292\.9 / 296\.5, 2308 / 2387; the paper\: 'appreciable \(about 2\-3%\) only for the S\_k for k = \-6, \-8 and 2'\)\.

Table 2 \(p\. 471\)\: L\_k and I\_k \(k = 2 \.\.\. \-2\) components and isotropic, with Ref\. \[22\]'s isotropic\: no quantity, not extracted \(errors \<= 1 %, L\_\-1 \<~2 %\)\. Relative anisotropies X\(I\_1\) = 8 %, X\(S\_1\) = \-2\.6 %, X\(I\_0\) = \-20 % \(p\. 472\)\.

Table 3 \(p\. 473\)\: alpha\(lambda\) and gamma\(lambda\) at 24 wavelengths \(infinity and 8000\-1850\.7 A\), this work \(errors \<~0\.5 % for alpha, \<~1 % for gamma\), with SOPPA values of Oddershede and Svendsen \(Ref\. \[49\]\) and Jorgensen et al\. \(Ref\. \[50\]\) and experiment \(note b\: 'Ref\. \[41\] for gamma = infinity' \(sic\: lambda\), 'Ref\. \[16\] all other wavelengths'\: Watson and Ramaswamy's static 13\.08 and Smith, Huber and Parkinson's \(smith\_1976\) UV values, converted by Kumar and Meath; Smith et al\.'s error \+\-0\.1 % above 2000 A and \+\-0\.6 % below, p\. 472\)\. The wavelengths are vacuum \(epsilon = hc/lambda; Smith et al\.'s are vacuum\)\. Text values \(p\. 472\)\: gamma\(0\) of Wolf et al\. 6\.57 \(from their S\_\-2^perp = 10\.97, S\_\-2^par = 17\.54\), Sunil and Jordan 3\.79, Amos 3\.78 \(CI; SCF 3\.32\), Werner and Meyer 3\.91, Rijks and Wormer 3\.15 \(TDCHF\) and 5\.26 \(MBPT\), Hettema et al\. 4\.43, Diercksen and Sadlej 3\.57; static isotropic S\_\-2\: Watson and Ramaswamy 13\.09, Wolf et al\. 13\.16, Hettema et al\. 13\.27, Sunil and Jordan 13\.06, Werner and Meyer 13\.05, Amos 13\.01, Rijks and Wormer 13\.64 \(MBPT\) and 12\.25 \(TDCHF\); averaging raises S\_\-2 by about 0\.6 % \(Amos\)\. Bogaard et al\.'s measured gamma at 4880, 5145 and 6328 A \(3\.797, 3\.772, 3\.590\) and Amos's experimental estimate gamma\(0\) = 3\.65 \+\- 0\.06 are inline datasets\.

Table 4 \(p\. 474\)\: the total depolarization ratio for vertically polarized light, rho\_v^T = 3 gamma^2/\(45 alpha^2 \+ 4 gamma^2\) \(Eq\. \(9\)\), printed as 100 rho, and the Rayleigh cross section Q = 128 pi^5/\(9 lambda^4\) \[3 alpha^2 \+ \(2/3\) gamma^2\] \(Eq\. \(10\)\) in 1e\-27 cm^2, at 18 wavelengths 6328\-1854\.6 A\. Checked \(2026\-09\-27\) with Table 3's alpha and gamma\: Q\(6328 A\) = 3\.233 \(printed 3\.234\), Q\(2754 A\) = 109\.0 \(1\.090\(2\)\); at 1854\.6 A Eq\. \(10\) with alpha about 18\.3 and gamma about 3\.49 gives about 815, but the table prints 2\.159\(2\) = 215\.9 \(below the 794\.0 at 1862\.7 A\)\: a misprint whose true digits cannot be recovered, so the row is excluded; its rho \(0\.2433\) is consistent \(0\.242 from Eq\. \(9\)\)\. The text \(p\. 473\) quotes Bridge and Buckingham's '0\.4800 \+\- 0\.005' and Baas and Van den Hout's '0\.48 \+\- 0\.02 and 0\.49 \+\- 0\.02' \(as 100 rho, like the table\), Bogaard et al\.'s 0\.517 \+\- 0\.007 \(5145 A\) and 0\.521 \+\- 0\.007 \(4880 A\) and Rodwell et al\.'s 0\.59 \(4880 A\) as 'much too high' \(inline datasets\)\. Errors\: rho \<= 1 % at 6328 A rising to \<= 1\.5 % at 1854 A; Q '\<= 0\.5% for lambda \< 2754 A \[sic, probably \>\], increasing to \<= 1% at lambda = 1854 A'\.

Table 5 \(p\. 474\)\: the Becquerel \(r = 1\) Verdet constants V\_N \(microminutes per oersted cm, Eq\. \(8\)\) from the DOSD and SOPPA, and r = V/V\_N with Ingersoll and Liebenberg's measured V \(ingersoll\_1956\), 9875\-3635 A; mean r = 0\.6679\: not extracted \(the density behind V\_N is not stated; V\_N is a model quantity\)\. Tables 6\-8 \(p\. 475\)\: C\_AB, Gamma\_AB, Delta\_AB dispersion coefficients for CO with CO, H2, N2 and the rare gases\: no quantity, not extracted \(C\_CO\-CO = 81\.31\)\.

Table 9 \(p\. 475\)\: ten\-term perpendicular and parallel pseudo\-DOSDs \(formulas, no form\: each is one component, not the isotropic polarizability; the isotropic alpha is \(2 alpha^perp \+ alpha^par\)/3\)\.

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

Datasets
--------

kumar\_1994/moments
~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "moments",
     "material": "CO",
     "file": "CO/kumar_1994__moments.csv",
     "table": "tbl_a5187b988bd4",
     "quantity": "cauchy_moment",
     "unit": "au",
     "abscissa": "order",
     "abscissa_unit": "1",
     "use": "check",
     "uncertainty": {
       "relative": 0.01,
       "level": "not stated",
       "relative_rows": {
         "2": 0.03,
         "1": 0.02
       }
     }
   }

Table 1 'Isotropic, this work'\: S\_k \(rows k; \-0\.5 for \-1/2 \.\.\.\) from the anisotropic DOSDs, \(2 S^perp \+ S^par\)/3\. Errors \<~3 % \(k = 2\), \<~2 % \(k = 1\), \<~1 % \(\-4 \<= k \< 1\), increasing slowly below \(note a\)\. Constrained \(source notes\)\: a check\.

kumar\_1994/moments\_jhanwar\_1982
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "moments_jhanwar_1982",
     "material": "CO",
     "file": "CO/kumar_1994__moments_jhanwar_1982.csv",
     "table": "tbl_a5187b988bd4",
     "quantity": "cauchy_moment",
     "unit": "au",
     "abscissa": "order",
     "abscissa_unit": "1",
     "use": "reproduced",
     "reproduced_from": [
       "jhanwar_1982"
     ]
   }

Table 1 'Isotropic, Ref\. \[22\]'\: Jhanwar and Meath's recommended isotropic sums \(jhanwar\_1982\), including k = 0, \-1/2, \-3/2, \-5 which jhanwar\_1982's Table 3 does not print\. Where both print a value they agree to the printed digits \(S\_2 13\.79\(3\), S\_1 14\.05\(1\), S\_\-1 9\.727, S\_\-2 13\.08, S\_\-3 23\.05, S\_\-4 48\.27, S\_\-6 29\.65\(1\), S\_\-8 23\.87\(2\) there\)\.

kumar\_1994/alpha\_present
~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "alpha_present",
     "material": "CO",
     "file": "CO/kumar_1994__alpha_present.csv",
     "table": "tbl_77c53d70381b",
     "quantity": "polarizability",
     "unit": "au",
     "abscissa_unit": "angstrom",
     "wavelength_medium": "vacuum",
     "use": "check",
     "uncertainty": {
       "relative": 0.005,
       "level": "not stated"
     }
   }

Table 3 'Dynamic polarizability, this work'\: the isotropic electronic polarizability from the DOSD at 24 wavelengths \(the cell inf is the static limit\)\. Errors \<~0\.5 % \(note a\)\. Constrained to refractivity \(through jhanwar\_1982\)\: a check\.

kumar\_1994/gamma\_present
~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "gamma_present",
     "material": "CO",
     "file": "CO/kumar_1994__gamma_present.csv",
     "table": "tbl_77c53d70381b",
     "quantity": "polarizability_anisotropy",
     "unit": "au",
     "abscissa_unit": "angstrom",
     "wavelength_medium": "vacuum",
     "use": "check",
     "uncertainty": {
       "relative": 0.01,
       "level": "not stated"
     }
   }

Table 3 'Anisotropy, this work'\: gamma = alpha^par \- alpha^perp from the DOSD at 24 wavelengths; gamma\(0\) = 3\.567\. Errors \<~1 %, larger at the lower gamma \(note a\)\. Constrained at 6328 A to Bridge and Buckingham's depolarization ratio\: a check\.

kumar\_1994/alpha\_oddershede\_1982
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "alpha_oddershede_1982",
     "material": "CO",
     "file": "CO/kumar_1994__alpha_oddershede_1982.csv",
     "table": "tbl_77c53d70381b",
     "quantity": "polarizability",
     "unit": "au",
     "abscissa_unit": "angstrom",
     "wavelength_medium": "vacuum",
     "use": "reproduced",
     "reproduced_from": [
       "J. Oddershede and E. N. Svendsen, Chem. Phys. 64, 359 (1982)"
     ]
   }

Table 3\: alpha \(a0^3\) against wavelength; SOPPA, no vibrational or rotational averaging; about 5 % below the DOSD \(p\. 472\)\.

kumar\_1994/alpha\_jorgensen\_1978
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "alpha_jorgensen_1978",
     "material": "CO",
     "file": "CO/kumar_1994__alpha_jorgensen_1978.csv",
     "table": "tbl_77c53d70381b",
     "quantity": "polarizability",
     "unit": "au",
     "abscissa_unit": "angstrom",
     "wavelength_medium": "vacuum",
     "use": "reproduced",
     "reproduced_from": [
       "P. Jorgensen, J. Oddershede, P. Albertsen and N. H. F. Beebe, J. Chem. Phys. 68, 2533 (1978)"
     ]
   }

Table 3\: alpha \(a0^3\) against wavelength; SOPPA; about 19 % below the DOSD \(p\. 472\)\.

kumar\_1994/gamma\_oddershede\_1982
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "gamma_oddershede_1982",
     "material": "CO",
     "file": "CO/kumar_1994__gamma_oddershede_1982.csv",
     "table": "tbl_77c53d70381b",
     "quantity": "polarizability_anisotropy",
     "unit": "au",
     "abscissa_unit": "angstrom",
     "wavelength_medium": "vacuum",
     "use": "reproduced",
     "reproduced_from": [
       "J. Oddershede and E. N. Svendsen, Chem. Phys. 64, 359 (1982)"
     ]
   }

Table 3\: gamma \(a0^3\) against wavelength; SOPPA\.

kumar\_1994/gamma\_jorgensen\_1978
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "gamma_jorgensen_1978",
     "material": "CO",
     "file": "CO/kumar_1994__gamma_jorgensen_1978.csv",
     "table": "tbl_77c53d70381b",
     "quantity": "polarizability_anisotropy",
     "unit": "au",
     "abscissa_unit": "angstrom",
     "wavelength_medium": "vacuum",
     "use": "reproduced",
     "reproduced_from": [
       "P. Jorgensen, J. Oddershede, P. Albertsen and N. H. F. Beebe, J. Chem. Phys. 68, 2533 (1978)"
     ]
   }

Table 3\: gamma \(a0^3\) against wavelength; SOPPA\.

kumar\_1994/alpha\_watson\_1936
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "alpha_watson_1936",
     "material": "CO",
     "file": "CO/kumar_1994__alpha_watson_1936.csv",
     "table": "tbl_77c53d70381b",
     "quantity": "polarizability",
     "unit": "au",
     "abscissa_unit": "angstrom",
     "wavelength_medium": "vacuum",
     "use": "reproduced",
     "reproduced_from": [
       "watson_1936"
     ]
   }

Table 3 'experiment' at infinite wavelength \(note b, Ref\. \[41\]\)\: Watson and Ramaswamy's static polarizability, 13\.08 a0^3 \(the text quotes their S\_\-2 as 13\.09\), derived from their refractivity data\.

kumar\_1994/alpha\_smith\_1976
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "alpha_smith_1976",
     "material": "CO",
     "file": "CO/kumar_1994__alpha_smith_1976.csv",
     "table": "tbl_77c53d70381b",
     "quantity": "polarizability",
     "unit": "au",
     "abscissa_unit": "angstrom",
     "wavelength_medium": "vacuum",
     "use": "reproduced",
     "reproduced_from": [
       "smith_1976"
     ]
   }

Table 3 'experiment' at 2894\-1850\.7 A \(note b, Ref\. \[16\]\)\: Smith, Huber and Parkinson's measured refractivities \(smith\_1976 experiment\_CO\) as polarizabilities in a0^3, converted by Kumar and Meath \(method not stated\); experimental error \+\-0\.1 % above 2000 A and \+\-0\.6 % below \(p\. 472\)\.

kumar\_1994/depolarization
~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "depolarization",
     "material": "CO",
     "file": "CO/kumar_1994__depolarization.csv",
     "table": "tbl_d2eb2911fa57",
     "quantity": "depolarization_ratio",
     "scale": 0.01,
     "abscissa_unit": "angstrom",
     "wavelength_medium": "vacuum",
     "use": "check",
     "uncertainty": {
       "relative": 0.015,
       "level": "not stated"
     },
     "parameters": {
       "kind": "rayleigh",
       "polarization": "linear",
       "geometry": "vertically polarized incident light; total (Rayleigh line with its rotational Raman wings), Eq. (9) from alpha and gamma"
     }
   }

Table 4 '100 rho\_v^T'\: the total depolarization ratio for vertically polarized incident light from the DOSD's alpha and gamma, Eq\. \(9\), printed times 100 \(scale 1e\-2\), 18 wavelengths; the 6328 A value is Bridge and Buckingham's by construction\. Errors \<= 1 % at 6328 A rising to \<= 1\.5 % at 1854 A \(note a\)\: 1\.5 % stored\.

kumar\_1994/rayleigh
~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "rayleigh",
     "material": "CO",
     "file": "CO/kumar_1994__rayleigh.csv",
     "table": "tbl_d2eb2911fa57",
     "quantity": "rayleigh_cross_section",
     "unit": "cm2",
     "scale": 1e-27,
     "abscissa_unit": "angstrom",
     "wavelength_medium": "vacuum",
     "use": "check",
     "excluded_rows": {
       "1854.6": "printed 2.159(2) = 215.9, below the 794.0 at 1862.7 A; Eq. (10) with Table 3's alpha and gamma gives about 815 (source notes): a misprint whose digits cannot be recovered"
     },
     "uncertainty": {
       "relative": 0.01,
       "level": "not stated"
     }
   }

Table 4 'Q\_Ray'\: the Rayleigh cross section from the DOSD's alpha and gamma, Eq\. \(10\), in 1e\-27 cm^2, 18 wavelengths \(6328 A\: 3\.234, reproduced by Eq\. \(10\) to 3\.233\)\. Errors \<= 0\.5\-1 % \(note a\)\: 1 % stored\. The 1854\.6 A row is excluded\.

kumar\_1994/gamma\_bogaard\_1978
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "gamma_bogaard_1978",
     "material": "CO",
     "table": "text",
     "quantity": "polarizability_anisotropy",
     "unit": "au",
     "abscissa_unit": "angstrom",
     "wavelength_medium": "vacuum",
     "use": "reproduced",
     "reproduced_from": [
       "M. P. Bogaard, A. D. Buckingham, R. K. Pierens and A. H. White, J. Chem. Soc. Faraday Trans. I 74, 3008 (1978)"
     ]
   }

3 inline points in the source record.

p\. 472\: 'Bogaard et al\. have obtained experimental results for gamma at lambda = 4880, 5145 and 6328 A, namely gamma = 3\.797, 3\.772 and 3\.590 respectively' \(a0^3; from their depolarization ratios\); 'for the larger lambda values, agree well with our recommended values'\. The wavelengths are the Ar\+ and He\-Ne lines as the paper prints them \(medium not stated\)\.

kumar\_1994/gamma\_amos\_1980
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "gamma_amos_1980",
     "material": "CO",
     "table": "text",
     "quantity": "polarizability_anisotropy",
     "unit": "au",
     "abscissa_unit": "angstrom",
     "use": "reproduced",
     "reproduced_from": [
       "R. D. Amos, Chem. Phys. Lett. 70, 613 (1980)",
       "M. P. Bogaard, A. D. Buckingham, R. K. Pierens and A. H. White, J. Chem. Soc. Faraday Trans. I 74, 3008 (1978)"
     ],
     "uncertainty": {
       "column": true,
       "level": "not stated"
     }
   }

1 inline points in the source record.

p\. 472\: Bogaard et al\.'s results 'have been used by Amos to obtain an experimental estimate of gamma\(0\) = 3\.65 \+\- 0\.06' \(a0^3, static; sigma the printed \+\-\)\.

kumar\_1994/depolarization\_bridge\_1966
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "depolarization_bridge_1966",
     "material": "CO",
     "table": "text",
     "quantity": "depolarization_ratio",
     "scale": 0.01,
     "abscissa_unit": "angstrom",
     "use": "reproduced",
     "reproduced_from": [
       "N. J. Bridge and A. D. Buckingham, Proc. R. Soc. A 295, 334 (1966)"
     ],
     "uncertainty": {
       "column": true,
       "level": "not stated"
     },
     "parameters": {
       "kind": "rayleigh",
       "polarization": "linear",
       "geometry": "as the source measured it (not stated here); compared with the table's total depolarization ratio for vertically polarized light"
     }
   }

1 inline points in the source record.

p\. 473\: 'the result at lambda = 6328 A agrees with that of Bridge and Buckingham, namely 0\.4800 \+\- 0\.005' \(printed on the table's 100 rho scale; error \<= 1 %, p\. 470\); the constraint of the anisotropic DOSD\. The wavelengths are laser lines as printed \(medium not stated\)\.

kumar\_1994/depolarization\_baas\_1979
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "depolarization_baas_1979",
     "material": "CO",
     "table": "text",
     "quantity": "depolarization_ratio",
     "scale": 0.01,
     "abscissa_unit": "angstrom",
     "use": "reproduced",
     "reproduced_from": [
       "F. Baas and K. D. Van den Hout, Physica A 95, 597 (1979)"
     ],
     "uncertainty": {
       "column": true,
       "level": "not stated"
     },
     "parameters": {
       "kind": "rayleigh",
       "polarization": "linear",
       "geometry": "as the source measured it (not stated here); compared with the table's total depolarization ratio for vertically polarized light"
     }
   }

2 inline points in the source record.

p\. 473\: 'The experimental results of Baas and Van den Haut \[sic\], 0\.48 \+\- 0\.02 and 0\.49 \+\- 0\.02 for lambda = 6328 and 5145 A' \(100 rho\)\. The wavelengths are laser lines as printed \(medium not stated\)\.

kumar\_1994/depolarization\_bogaard\_1978
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "depolarization_bogaard_1978",
     "material": "CO",
     "table": "text",
     "quantity": "depolarization_ratio",
     "scale": 0.01,
     "abscissa_unit": "angstrom",
     "use": "reproduced",
     "reproduced_from": [
       "M. P. Bogaard, A. D. Buckingham, R. K. Pierens and A. H. White, J. Chem. Soc. Faraday Trans. I 74, 3008 (1978)"
     ],
     "uncertainty": {
       "column": true,
       "level": "not stated"
     },
     "parameters": {
       "kind": "rayleigh",
       "polarization": "linear",
       "geometry": "as the source measured it (not stated here); compared with the table's total depolarization ratio for vertically polarized light"
     }
   }

2 inline points in the source record.

p\. 473\: 'the rho\_v^T obtained by Bogaard et al\., namely 0\.517 \+\- 0\.007 and 0\.521 \+\- 0\.007 at lambda = 5145 and 4880 A respectively \.\.\. are much too high' \(100 rho\)\. The wavelengths are laser lines as printed \(medium not stated\)\.

kumar\_1994/depolarization\_rodwell\_1971
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "depolarization_rodwell_1971",
     "material": "CO",
     "table": "text",
     "quantity": "depolarization_ratio",
     "scale": 0.01,
     "abscissa_unit": "angstrom",
     "use": "reproduced",
     "reproduced_from": [
       "R. L. Rodwell, G. M. Aval and J. J. Barrett, J. Chem. Phys. 54, 1960 (1971)"
     ],
     "parameters": {
       "kind": "rayleigh",
       "polarization": "linear",
       "geometry": "as the source measured it (not stated here); compared with the table's total depolarization ratio for vertically polarized light"
     }
   }

1 inline points in the source record.

p\. 473\: 'and by Rodwell et al\., 0\.59 at lambda = 4880 A, are much too high' \(100 rho\)\. The wavelengths are laser lines as printed \(medium not stated\)\.

Formulas
--------

kumar\_1994/pseudospectrum\_perpendicular
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "pseudospectrum_perpendicular",
     "material": "CO",
     "equation": "Table 9, p. 475, with Eq. (17)",
     "printed": "(E_i, f_i), perpendicular: (0.300745, 0.576888(-1)); (0.321548, 0.121756); (0.402378, 0.192146); (0.492648, 0.767736); (0.668134, 0.110571(1)); (0.103327(1), 0.220892(1)); (0.183740(1), 0.353451(1)); (0.422781(1), 0.232580(1)); (0.235030(2), 0.356264(1)); (0.309335(3), 0.123072)",
     "variable": "E: excitation energy in hartree; f: oscillator strength of the perpendicular component; alpha^perp(omega) = sum f / (E^2 - omega^2) in atomic units (one component; the isotropic alpha is (2 alpha^perp + alpha^par)/3)",
     "state": "none (per molecule)",
     "density": "none",
     "range": "below the first resonance (the lowest pole is at 0.30 hartree, 8.2 eV)",
     "coefficients": {
       "E1": "0.300745",
       "f1": "0.576888e-1",
       "E2": "0.321548",
       "f2": "0.121756",
       "E3": "0.402378",
       "f3": "0.192146",
       "E4": "0.492648",
       "f4": "0.767736",
       "E5": "0.668134",
       "f5": "0.110571e1",
       "E6": "0.103327e1",
       "f6": "0.220892e1",
       "E7": "0.183740e1",
       "f7": "0.353451e1",
       "E8": "0.422781e1",
       "f8": "0.232580e1",
       "E9": "0.235030e2",
       "f9": "0.356264e1",
       "E10": "0.309335e3",
       "f10": "0.123072"
     },
     "check": "S(k) = sum f E^k reproduces Table 1's perpendicular sums: S_2 = 13800 (1.380(4)), S_1 = 141.7, S_0 = 14.00, S_-1 = 9.025, S_-2 = 11.89 (1.189(1)), S_-4 = 46.61, S_-6 = 301.4, S_-8 = 2458; S_-1/2 = 9.723 against 9.718; alpha at 6328 A is 12.145 (the constraint 12.15) (computed 2026-09-27)."
   }

A ten\-term pseudo\-DOSD fitted to the component's S\_k, k = 2 \.\.\. \-17\. No form\: a component, not the isotropic polarizability a model would give\.

kumar\_1994/pseudospectrum\_parallel
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "pseudospectrum_parallel",
     "material": "CO",
     "equation": "Table 9, p. 475, with Eq. (17)",
     "printed": "(E_i, f_i), parallel: (0.300049, 0.422541(-1)); (0.321275, 0.911161(-1)); (0.406158, 0.166808); (0.504564, 0.120363(1)); (0.668546, 0.192140(1)); (0.990296, 0.303608(1)); (0.167222(1), 0.249242(1)); (0.430373(1), 0.145543(1)); (0.244579(2), 0.346766(1)); (0.307471(3), 0.123200)",
     "variable": "E: excitation energy in hartree; f: oscillator strength of the parallel component; alpha^para(omega) = sum f / (E^2 - omega^2) in atomic units (one component; the isotropic alpha is (2 alpha^perp + alpha^par)/3)",
     "state": "none (per molecule)",
     "density": "none",
     "range": "below the first resonance (the lowest pole is at 0.30 hartree, 8.2 eV)",
     "coefficients": {
       "E1": "0.300049",
       "f1": "0.422541e-1",
       "E2": "0.321275",
       "f2": "0.911161e-1",
       "E3": "0.406158",
       "f3": "0.166808",
       "E4": "0.504564",
       "f4": "0.120363e1",
       "E5": "0.668546",
       "f5": "0.192140e1",
       "E6": "0.990296",
       "f6": "0.303608e1",
       "E7": "0.167222e1",
       "f7": "0.249242e1",
       "E8": "0.430373e1",
       "f8": "0.145543e1",
       "E9": "0.244579e2",
       "f9": "0.346766e1",
       "E10": "0.307471e3",
       "f10": "0.123200"
     },
     "check": "S(k) = sum f E^k reproduces Table 1's parallel sums: S_2 = 13760 (1.376(4)), S_1 = 138.1, S_0 = 14.00, S_-1 = 11.13, S_-2 = 15.46 (1.546(1)), S_-4 = 51.56, S_-6 = 275.7, S_-8 = 2009; S_-1/2 = 10.93; alpha at 6328 A is 15.737 (the constraint 15.74) (computed 2026-09-27)."
   }

A ten\-term pseudo\-DOSD fitted to the component's S\_k, k = 2 \.\.\. \-17\. No form\: a component, not the isotropic polarizability a model would give\.

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