chang_1982#
T. N. Chang and Y. S. Kim, “Photoionization from the excited p states of the rare-gas atoms”, Phys. Rev. A 26, 2728 (1982)
Source record · Catalogue · Review register
Source kind: theory
Recorded technique: Calculated one-photon photoionisation cross sections of the excited np5 mp (1S) states of Ne (n = 2), Ar (3), Kr (4) and Xe (5), m = n + 1 to n + 4, into np5 ks and np5 kd (1P) (Eq. 1), LS-coupled: a single-configuration calculation in which the excited and continuum orbitals are eigenfunctions of an effective Hamiltonian H^(N-1) (Eq. 5), the ground state’s Hartree-Fock Hamiltonian corrected for the np hole by its average effect (Eqs. 6-7), with the occupied orbitals projected out. Dipole length and velocity forms (Eqs. 2-4); ‘the length and velocity results generally agree with each other to 10% or less near the ionization threshold (to about 5 eV above)’ for Ne, Ar and Kr, more for Xe (p. 2730). No many-body corrections (the authors’ earlier work on neon found them small, p. 2728).
Materials in structured entries: Ar, Kr, Ne, Xe
Dataset quantities: excited_state_photoionization_cross_section
Contents: 14 datasets; 0 formulas.
Curation notes#
Phys. Rev. A 26(5), 2728-2732 (November 1982) = PDF pages 1-5 (journal page = PDF page + 2727); a scan, each page one image (4938 x 6686 pixels) with a text layer. Identity checked against the first page (journal, volume, number, date, title, authors). Tables I and II checked against the table images and the rendered pages.
STATES. Each is the LS-coupled np5 mp (1S), J = 0 state of the calculation; ‘for a J = 0 state’ (p. 2731). Table I (p. 2730) prints the calculated effective quantum numbers n* (from the orbital eigenvalues of Eq. 5), which differ from the observed n* of the np[1/2]0 levels by 2.3 % (Ne 3p) to 0.9 % (Xe 9p). The paper prints no threshold or binding energy.
WHAT IS TAKEN (tools/extract/chang_1982.py). (1) Table II (p. 2731), ‘Calculated photoionization cross sections (in megabarns) at lambda = 308 and 248 nm’: the present work for Ne 2p5 3p and Xe 5p5 6p at 308 nm, Ar 3p5 4p and Kr 4p5 5p at 248 nm, the length form (‘we compare quantitatively the length calculation at wavelengths lambda = 248 and 308 nm in Table II’, p. 2732); wavelengths as printed (the XeCl and KrF lasers, air or vacuum not said). (2) Table II’s ‘Duzy and Hyman’ column, ‘taken from Ref. 7’ (C. Duzy and H. A. Hyman, Phys. Rev. A 22, 1978 (1980), not in the library), as reproduced values. (3) The text’s Kr 6p value, ‘7.4 x 10^-19 cm2 in the velocity approximation for a J = 0 state’ at ‘lambda = 193.5 nm’ (p. 2731), inline. (4) Figs. 1-4 (pp. 2729-2730, raster scans), the velocity-form cross sections against the photoelectron energy (eV, log, 0.1 to about 400): the first excited p state of each gas (Ne 3p, Ar 4p, Kr 5p, Xe 6p) and Kr 6p, read from the page images at native resolution (the method in the script’s docstring), one point every 20 columns (0.06 decade).
THE PHOTON ENERGY OF THE FIGURES (a conversion this record makes): photoelectron energy (as drawn) plus the state’s binding energy from Table I, Ry / n*^2 with Ry = 13.605693 eV (the paper’s energies are in Rydberg units, p. 2728): Ne 3p 2.9905, Ar 4p 2.5630, Kr 5p 2.4182, Kr 6p 1.1749, Xe 6p 2.2538 eV, the calculation’s own thresholds; the experimental thresholds differ (for Kr 6p[1/2]0 1.1348 eV, NIST ASD in data/external/nist_asd/Kr_I_levels.tsv, nist_asd_2026), and nothing is shifted to them. The photoelectron energy read is in each point’s ‘printed’. The range read is where the four curves of a figure are resolved: from 2.6 (Ne 3p, where the four curves cross near 1 eV), 0.61 (Ar), 0.69 (Kr) or 0.88 eV (Xe), where they merge, to the curves’ ends at 52-60 eV; the threshold region (0.1 eV up) is not read.
DIGITISING. The figures are hand-drafted on scanned pages turned by up to 0.3 degree: each side of a frame has its own scale, from its decade ticks (written in the script, residuals within 5 pixels), and a point is interpolated between the two sides; every minor tick lies within 10 pixels of the position its decades give it (the drafting). 350-360 pixels per decade on both axes; the lines are 6-10 pixels wide. Relative uncertainty 8 %: 5 pixels on the drafted scale (3 %) and the half line width (2-3 %) in sigma, and the same in energy, which on the steepest parts (slopes of -3 to -5 decades per decade) moves sigma by more. The overlays (the points and the calibrated decade grid drawn on the page images) were inspected.
CHECKED (the script). Table II (length) against the figures (velocity) at the same wavelength, with the calculation’s thresholds: Ar 4p at 248 nm 0.971, Kr 5p at 248 nm 0.991 (the 10 % the paper allows between the forms), Xe 6p at 308 nm 0.885 (‘For Xe, this difference is generally larger’, p. 2730); Ne 3p at 308 nm (1.03 eV above threshold) lies where the Ne curves cross and is not read. FINDING: Fig. 3’s 6p curve at 193.5 nm (5.23 eV above the threshold) reads 8.2 x 10^-19 cm2, 1.10 times the text’s 7.4 x 10^-19, although both are the velocity form; with the experimental J = 0 threshold (1.1348 eV) the figure gives 1.8 % less, so the threshold does not account for it; the 10 % exceeds the reading’s 3 % at that level (the Ar and Kr checks). Which is right is not known; both are kept.
COMPARISONS. geohegan_1986 (TC-886) quotes ‘Chang and Kim’ for Kr 6p[3/2]2 as 8.0 x 10^-19 cm2 and cites ‘Phys. Rev. A 26, 2278 (1982)’ (page 2728 transposed): the text prints 7.4 x 10^-19 (velocity, J = 0); 8.0 is within 2 % of Fig. 3’s curve at 193.5 nm. The same p. 2731 compares the calculation with Bokor, Zavelovich and Rhodes’s (Phys. Rev. A 21, 1453 (1980), bokor_1980) ‘(3.2 +- 2.0) x 10^-19 cm2 at lambda = 193.5 nm’ for Kr 6p[3/2]2, geohegan_1986’s second value. kroll_1990 (TC-890, Table II, ref. 14) quotes this paper for Xe 6p as 3.7 (248 nm) and 1.8 x 10^-18 cm2 (193 nm), ‘an average over the 5p5 6p configuration’: the paper prints no Xe value at either wavelength; Fig. 4’s 6p curve (velocity) gives 3.47 and 1.74 Mb there, 6 and 3 % below the quotations, and the length form, 13 % above the velocity at 308 nm, would be about 3.9 and 2.0: the quotations are this calculation within the reading, from the figure or the authors’ tabulation (‘made available upon request’, p. 2732); which form cannot be told. hyman_1977 (Table I, 4.3 and 4.5 x 10^-18 cm2 at 248.6 nm for Ar 4p and Kr 5p) is ‘the earlier calculated values of Hyman’ that Table II agrees with more closely than with Duzy and Hyman’s (5-15 % above the present work, p. 2732). pindzola_1981 is cited as ‘M. A. Pindzola, Phys. Rev. A 23, 20 (1981)’ (initial and page misprinted; it is 23, 201): this Xe 6p cross section is ‘higher than the Hartree-Fock calculation of Pindzola by a factor of two or more’ (p. 2732); at 308 nm (4.03 eV) pindzola_1981’s Hartree-Fock length total is about 3.6 x 10^-18 cm2 (between its 3.20 and 4.20 eV rows), 0.52 of Table II’s 6.9 Mb.
NOT TAKEN. Table I’s effective quantum numbers (no quantity holds an effective quantum number; used for the photon energy). The figures’ other curves (Ne 4p-6p, Ar 5p-7p, Kr 7p-8p, Xe 7p-9p): the higher members, not read. Fig. 5 (radial wave functions of Xe) and Fig. 6 (the asymmetry parameter beta of the first excited p states, a quantity the vocabulary does not hold). The length-form curves are not drawn. Further experimental data cited: Bokor et al. above (bokor_1980, in the library).
Recorded bibliographic identity status: VALIDATED. This concerns identification of the source; it does not establish the scientific correctness of its contents.
Datasets#
chang_1982/table2_3p#
{
"id": "table2_3p",
"material": "Ne",
"file": "Ne/chang_1982__table2_3p.csv",
"table": "tbl_c2bfbdfde088",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "nm",
"use": "check",
"parameters": {
"initial_level": "Ne 2p5 3p (1S), J = 0, LS-coupled (the calculation's state)",
"method": "single-configuration, hole-corrected Hartree-Fock effective Hamiltonian H^(N-1) (Eq. 5)",
"gauge": "length"
}
}
Table II (p. 2731), present work at 308 nm: 2.0 Mb, the length form (p. 2732). No uncertainty is stated.
chang_1982/table2_4p#
{
"id": "table2_4p",
"material": "Ar",
"file": "Ar/chang_1982__table2_4p.csv",
"table": "tbl_c2bfbdfde088",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "nm",
"use": "check",
"parameters": {
"initial_level": "Ar 3p5 4p (1S), J = 0, LS-coupled (the calculation's state)",
"method": "single-configuration, hole-corrected Hartree-Fock effective Hamiltonian H^(N-1) (Eq. 5)",
"gauge": "length"
}
}
Table II (p. 2731), present work at 248 nm: 4.8 Mb, the length form (p. 2732). No uncertainty is stated.
chang_1982/table2_5p#
{
"id": "table2_5p",
"material": "Kr",
"file": "Kr/chang_1982__table2_5p.csv",
"table": "tbl_c2bfbdfde088",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "nm",
"use": "check",
"parameters": {
"initial_level": "Kr 4p5 5p (1S), J = 0, LS-coupled (the calculation's state)",
"method": "single-configuration, hole-corrected Hartree-Fock effective Hamiltonian H^(N-1) (Eq. 5)",
"gauge": "length"
}
}
Table II (p. 2731), present work at 248 nm: 4.5 Mb, the length form (p. 2732). No uncertainty is stated.
chang_1982/table2_6p#
{
"id": "table2_6p",
"material": "Xe",
"file": "Xe/chang_1982__table2_6p.csv",
"table": "tbl_c2bfbdfde088",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "nm",
"use": "check",
"parameters": {
"initial_level": "Xe 5p5 6p (1S), J = 0, LS-coupled (the calculation's state)",
"method": "single-configuration, hole-corrected Hartree-Fock effective Hamiltonian H^(N-1) (Eq. 5)",
"gauge": "length"
}
}
Table II (p. 2731), present work at 308 nm: 6.9 Mb, the length form (p. 2732). No uncertainty is stated.
chang_1982/table2_duzy_hyman_3p#
{
"id": "table2_duzy_hyman_3p",
"material": "Ne",
"file": "Ne/chang_1982__table2_duzy_hyman_3p.csv",
"table": "tbl_c2bfbdfde088",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"C. Duzy and H. A. Hyman, Phys. Rev. A 22, 1978 (1980)"
],
"parameters": {
"initial_level": "Ne 2p5 3p, as Table II labels it",
"method": "semiempirical calculation (Duzy and Hyman), as reproduced"
}
}
Table II (p. 2731), ‘Duzy and Hyman’ at 308 nm: 2.3 Mb, ‘taken from Ref. 7’, a ‘semiempirical calculation’ (p. 2731); the original is not in the library.
chang_1982/table2_duzy_hyman_4p#
{
"id": "table2_duzy_hyman_4p",
"material": "Ar",
"file": "Ar/chang_1982__table2_duzy_hyman_4p.csv",
"table": "tbl_c2bfbdfde088",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"C. Duzy and H. A. Hyman, Phys. Rev. A 22, 1978 (1980)"
],
"parameters": {
"initial_level": "Ar 3p5 4p, as Table II labels it",
"method": "semiempirical calculation (Duzy and Hyman), as reproduced"
}
}
Table II (p. 2731), ‘Duzy and Hyman’ at 248 nm: 5.4 Mb, ‘taken from Ref. 7’, a ‘semiempirical calculation’ (p. 2731); the original is not in the library.
chang_1982/table2_duzy_hyman_5p#
{
"id": "table2_duzy_hyman_5p",
"material": "Kr",
"file": "Kr/chang_1982__table2_duzy_hyman_5p.csv",
"table": "tbl_c2bfbdfde088",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"C. Duzy and H. A. Hyman, Phys. Rev. A 22, 1978 (1980)"
],
"parameters": {
"initial_level": "Kr 4p5 5p, as Table II labels it",
"method": "semiempirical calculation (Duzy and Hyman), as reproduced"
}
}
Table II (p. 2731), ‘Duzy and Hyman’ at 248 nm: 5.2 Mb, ‘taken from Ref. 7’, a ‘semiempirical calculation’ (p. 2731); the original is not in the library.
chang_1982/table2_duzy_hyman_6p#
{
"id": "table2_duzy_hyman_6p",
"material": "Xe",
"file": "Xe/chang_1982__table2_duzy_hyman_6p.csv",
"table": "tbl_c2bfbdfde088",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "nm",
"use": "reproduced",
"reproduced_from": [
"C. Duzy and H. A. Hyman, Phys. Rev. A 22, 1978 (1980)"
],
"parameters": {
"initial_level": "Xe 5p5 6p, as Table II labels it",
"method": "semiempirical calculation (Duzy and Hyman), as reproduced"
}
}
Table II (p. 2731), ‘Duzy and Hyman’ at 308 nm: 7.6 Mb, ‘taken from Ref. 7’, a ‘semiempirical calculation’ (p. 2731); the original is not in the library.
chang_1982/text_6p_Kr#
{
"id": "text_6p_Kr",
"material": "Kr",
"table": "text",
"scale": 1e-19,
"quantity": "excited_state_photoionization_cross_section",
"unit": "cm2",
"abscissa_unit": "nm",
"use": "check",
"parameters": {
"initial_level": "Kr 4p5 6p (1S), J = 0, LS-coupled (the calculation's state)",
"method": "single-configuration, hole-corrected Hartree-Fock effective Hamiltonian H^(N-1) (Eq. 5)",
"gauge": "velocity"
}
}
1 inline points in the source record.
p. 2731: ‘our calculated value of 7.4 x 10^-19 cm2 in the velocity approximation for a J = 0 state’ at ‘lambda = 193.5 nm’, compared with Bokor et al.’s measurement for 6p[3/2]2. Fig. 3’s 6p curve reads 1.10 times this at 193.5 nm (the record’s notes).
chang_1982/fig1_3p#
{
"id": "fig1_3p",
"material": "Ne",
"file": "Ne/chang_1982__fig_3p.csv",
"table": "fig_b8e5ffd05efa",
"digitised": "raster",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "eV",
"use": "check",
"uncertainty": {
"relative": 0.08,
"level": "not stated"
},
"parameters": {
"initial_level": "Ne 2p5 3p (1S), J = 0, LS-coupled (the calculation's state)",
"method": "single-configuration, hole-corrected Hartree-Fock effective Hamiltonian H^(N-1) (Eq. 5)",
"gauge": "velocity"
}
}
Fig. 1 (p. 2729), the 3p curve (velocity), read from the image from 2.6 eV above threshold (below it the four curves cross) to 58 eV, through the Cooper-minimum shoulder near 10 eV (p. 2731). Photon energy = photoelectron energy + 2.9905 eV (Table I’s n* = 2.133; the record’s notes). 8 %: the reading.
chang_1982/fig2_4p#
{
"id": "fig2_4p",
"material": "Ar",
"file": "Ar/chang_1982__fig_4p.csv",
"table": "fig_d4adf2172464",
"digitised": "raster",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "eV",
"use": "check",
"uncertainty": {
"relative": 0.08,
"level": "not stated"
},
"parameters": {
"initial_level": "Ar 3p5 4p (1S), J = 0, LS-coupled (the calculation's state)",
"method": "single-configuration, hole-corrected Hartree-Fock effective Hamiltonian H^(N-1) (Eq. 5)",
"gauge": "velocity"
}
}
Fig. 2 (p. 2729), the 4p curve (velocity), read from the image from 0.61 eV above threshold (below it the curves merge) to 56 eV, through the Cooper minimum near 35 eV (p. 2731). Photon energy = photoelectron energy + 2.5630 eV (Table I’s n* = 2.304; the record’s notes). At 248 nm it reads 0.97 times Table II’s length value. 8 %: the reading.
chang_1982/fig3_5p#
{
"id": "fig3_5p",
"material": "Kr",
"file": "Kr/chang_1982__fig_5p.csv",
"table": "fig_0aeec97192fc",
"digitised": "raster",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "eV",
"use": "check",
"uncertainty": {
"relative": 0.08,
"level": "not stated"
},
"parameters": {
"initial_level": "Kr 4p5 5p (1S), J = 0, LS-coupled (the calculation's state)",
"method": "single-configuration, hole-corrected Hartree-Fock effective Hamiltonian H^(N-1) (Eq. 5)",
"gauge": "velocity"
}
}
Fig. 3 (p. 2730), the 5p curve (velocity), read from the image from 0.69 eV above threshold (below it the curves merge) to 57 eV. Photon energy = photoelectron energy + 2.4182 eV (Table I’s n* = 2.372; the record’s notes). At 248 nm it reads 0.99 times Table II’s length value. 8 %: the reading.
chang_1982/fig3_6p#
{
"id": "fig3_6p",
"material": "Kr",
"file": "Kr/chang_1982__fig_6p.csv",
"table": "fig_0aeec97192fc",
"digitised": "raster",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "eV",
"use": "check",
"uncertainty": {
"relative": 0.08,
"level": "not stated"
},
"parameters": {
"initial_level": "Kr 4p5 6p (1S), J = 0, LS-coupled (the calculation's state)",
"method": "single-configuration, hole-corrected Hartree-Fock effective Hamiltonian H^(N-1) (Eq. 5)",
"gauge": "velocity"
}
}
Fig. 3 (p. 2730), the 6p curve (velocity), read from the image from 0.69 eV above threshold (below it the curves merge) to 57 eV. Photon energy = photoelectron energy + 1.1749 eV (Table I’s n* = 3.403; the record’s notes). At 193.5 nm it reads 1.10 times the text’s 7.4e-19 cm2 (a finding, the record’s notes). 8 %: the reading.
chang_1982/fig4_6p#
{
"id": "fig4_6p",
"material": "Xe",
"file": "Xe/chang_1982__fig_6p.csv",
"table": "fig_26a28978918d",
"digitised": "raster",
"quantity": "excited_state_photoionization_cross_section",
"unit": "Mb",
"abscissa_unit": "eV",
"use": "check",
"uncertainty": {
"relative": 0.08,
"level": "not stated"
},
"parameters": {
"initial_level": "Xe 5p5 6p (1S), J = 0, LS-coupled (the calculation's state)",
"method": "single-configuration, hole-corrected Hartree-Fock effective Hamiltonian H^(N-1) (Eq. 5)",
"gauge": "velocity"
}
}
Fig. 4 (p. 2730), the 6p curve (velocity), read from the image from 0.88 eV above threshold (below it the curves merge) to 57 eV. Photon energy = photoelectron energy + 2.2538 eV (Table I’s n* = 2.457; the record’s notes). At 308 nm it reads 0.89 times Table II’s length value (the forms differ more for Xe, p. 2730). 8 %: the reading.
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.