majety_2015#
V. P. Majety and A. Scrinzi, “Static field ionization rates for multi-electron atoms and small molecules”, J. Phys. B: At. Mol. Opt. Phys. 48, 245603 (2015)
Source record · Catalogue · Review register
DOI: 10.1088/0953-4075/48/24/245603
Source kind: theory
Recorded technique: Static-field ionisation rates from the hybrid anti-symmetrized coupled channels (haCC) method with exterior complex scaling (tRecX): the N-electron wave function is expanded in anti-symmetrized products of CI ionic states |I> (COLUMBUS, atom-centred Gaussian basis) and a numerical one-electron basis (finite elements radially, single-centre real spherical harmonics), plus the fully correlated CI neutral ground state (Eq. (1), p. 3). haCC(n): the lowest n ionic states (degenerate states counted separately). Fixed nuclei; the complex eigenvalue E = r - i Gamma/2 of the field-free ground state, followed adiabatically in F with ARPACK, gives the rate Gamma (pp. 3-4); scaling radius R0 = 25-40 au, nuclear and Hartree potentials switched off over 5-10 au before R0 (p. 4). Linear systems only: He, Ne, Ar, H2, N2, CO.
Materials in structured entries: CO, H2, He, N2
Dataset quantities: ionization_energy, ionization_rate
Contents: 41 datasets; 0 formulas.
Curation notes#
Pages are pdf pages: pdf page 1 is the IOP download cover, so the article’s own page number is one less (pdf p. 11 is the article’s p. 10). Identity checked against pdf p. 2.
WHAT IS TAKEN. Tables 1-3 and A1-A2 (static-field rates, au, against F in au) and Tables 4-5 (vertical energies of the ionic states of N2 and CO, eV). Every table image was checked against the extracted cells (2026-09-26): they agree. Rates are wavelength_nm = inf, polarization = static. A cell printed ‘<10^-k’ (He at F = 0.06 au; N2 and CO at F = 0.02 au) is an upper bound: kept in the file as 1e-k and excluded from its dataset. One structural fix in the script (Table A2’s last row carries the continuation’s header); no erratum.
WHAT THE RATES COUNT. Each rate is the total single-ionisation rate of the atom or molecule: the width Gamma of the complex-scaled N-electron ground state (p. 4), with all the ionic channels of the basis together, not a per-orbital rate. The paper cannot separate channels: ‘This fact can only be established by calculating partial ionization rates corresponding to each channel. Such a channel analysis is not trivial in the current setup due to non-orthogonality’ (p. 7). For comparison with single-electron (SAE) models the paper multiplies those by 2: Fig. 1 caption (p. 6), ‘All single electron values include multiplication by a factor 2 for the double occupancy of the ionizing orbital.’ So a haCC rate of Ne or Ar corresponds to twice a per-orbital SAE rate (the bearing on solprop’s occupancy question, TC-439).
ANGLES. H2: Table 2 is the field parallel to the molecular axis (angle_deg = 0), Table 3 perpendicular (90). N2 (Table A1) and CO (Table A2): the column angle is ‘Angle between the molecular axis and the field vector’ (table header). For CO, ‘0 deg when the field points from O atom to C atom’ (Fig. 5 caption, p. 9, and p. 7); the rates are largest at 180 deg (field from C to O): ‘maximum emission occurs when the field point from C to O which means the preferred emission end is toward the C atom’ (p. 8). N2 is symmetric, so 0-90 deg covers it. The internuclear distances of N2 and CO are ‘equilibrium’ (Tables A1, A2 captions), not printed; H2 is at 1.4 au (p. 4).
ACCURACY (quoted; the level of confidence is never stated). General: ‘the haCC method can produce rates accurate on the level of 5%-10%’ (p. 3); conclusions, ‘the haCC scheme is capable of providing rates accurate on the level of 5%-10%’ (p. 9). He (p. 4): 10 % below F = 0.1 au and 5 % above against the full-dimensional literature; haCC(5) within 1 % of [17] above 0.1 au. H2 parallel (p. 4): haCC(5) ‘accurate below 4%’ against [18]; perpendicular: ‘converge systematically to less than a few percent’. N2 (p. 7): the one-electron parameters (R0, l_max) ‘converged to 2%’; ‘Changing the gaussian basis to a quadruple zeta basis however changes the rates by about 10% at low field strengths (F < 0.5 a.u), but only by less than 5% at higher field strengths’ (0.5 as printed: the tabulated fields end at 0.14 au and Fig. 2 compares at 0.04, 0.08 and 0.12, so 0.05 is probably meant); ‘we are only looking for rates accurate on the level of 10%’, ‘we limit our accuracy requirement to <~10%’ (p. 6); adding the D 2Pi_g channel changes the rates by ‘less than 2% with respect to the haCC(5) scheme’ (p. 7). CO (p. 7): ‘The single electron parameters used are converged to below 10%’; ‘the first four bound states are sufficient for convergence’; adding the 3 2Sigma+ channel changes the rates by ‘less than 2% with respect to the haCC(6) scheme’. Recorded as the dataset uncertainty for the converged schemes only (He haCC(5) 10 %/5 %, H2 parallel haCC(5) 4 %, N2 haCC(5) and CO haCC(6) 10 %; level not stated); the lower schemes are convergence steps (use = check), and haCC(5)/(6) are marked primary as the paper’s converged results (their role against the full-dimensional He and H2 benchmarks is decided at review). The limitation (p. 4): core polarization is restricted to ionic bound states; ‘all continuum contributions to polarization are still missing’.
LITERATURE COLUMNS (reproduced): Table 1 [11] = parker_2009 (digit-identical), [17] = Scrinzi, Geissler and Brabec, Phys. Rev. Lett. 83, 706 (1999) (scrinzi_1999), [32] = Themelis, Mercouris and Nicolaides, Phys. Rev. A 61, 024101 (1999) (both also printed in parker_2009 Table 1, identical); Table 2 [18] = Saenz, Phys. Rev. A 61, 051402 (2000) (saenz_2000, which prints no rate); Tables 4-5: Svensson et al., Phys. Scr. 44, 184 (1991) [35] (the pdf itself prints the names ‘Carlsson-Gthe’ and ‘Mrtensson’, p. 11) and Baltzer et al., J. Phys. B 27, 4915 (1994) [36]. None of these originals is in the library. The ADK column of Table 1 is an unexplained formula evaluation, digit-identical to parker_2009’s ADK column (use = check).
NOT TAKEN (figures only). Ne and Ar (Sect. 4, Fig. 1, p. 6): haCC(4) rates against F with ADK, E-ADK (Tong and Lin 2005) and three SAE models (Batishchev et al. 2010 = batishchev_2010, Fabrikant and Zhao 2015); no values in the text, only ‘results from the two schemes [haCC(3) and haCC(4)] differ by less than 2%’ and E-ADK ‘still over-estimates by at least a factor 2’ (p. 6). N2: Fig. 2 (convergence), Fig. 3 (rates and Stark shift against F, haCC(1)-(7), MO-ADK), Fig. 4 (polar plots, F = 0.04-0.14 au). CO: Fig. 5 (polar plots, F = 0.03-0.09 au), Fig. 6 (the asymmetry parameter against intensity); each polar panel of Figs. 4 and 5 prints one number (a radial scale), not taken. Text values (p. 8): the yield asymmetry (Y_0 - Y_180)/(Y_0 + Y_180) (printed with a minus in the denominator, a misprint of the definition given for the rates on p. 8) for cos^2 pulses at the parameters of Li et al. 2011 [22], -0.25 +- 0.02 (haCC(6); the 0.02 from a 10 fs pulse-duration uncertainty) against the measured -0.30; haCC(1) predicts a swap of the preferred direction near 1.0e14 W/cm^2 (p. 8). No quantity holds an asymmetry: notes only. Quasi-static yield formula Eq. (5), p. 8: Y = 1 - exp(-int dt Gamma(F(t))).
VERTICAL ENERGIES. Tables 4 (N2, p. 6) and 5 (CO, p. 8): computed with MRCIS (‘the ionic and the neutral states were computed using the multi-reference CI singles level’, p. 6), use = check; the experimental columns reproduced. As ionization_energy of the neutral (kind = vertical), the row label the final ionic state; the single-row pvqz dataset also states final_state. Against solprop (tests/data/solprop_ionisation.json): N2 potential_j 2.49639e-18 J = 15.581 eV, the Svensson X value 15.58 printed here; the paper’s own 15.5 (tz) and 15.60 (qz). CO is not in solprop.
Recorded bibliographic identity status: VALIDATED. This concerns identification of the source; it does not establish the scientific correctness of its contents.
Datasets#
majety_2015/table1_hacc5_He#
{
"id": "table1_hacc5_He",
"material": "He",
"file": "He/majety_2015__table1_hacc5_He.csv",
"table": "tbl_f4022cb09486",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.06": "printed '<10^-10': an upper bound, not a value (written 1e-10 for the record)"
},
"uncertainty": {
"relative": 0.1,
"relative_rows": {
"0.10": 0.05,
"0.11": 0.05,
"0.12": 0.05,
"0.13": 0.05,
"0.14": 0.05,
"0.15": 0.05,
"0.16": 0.05,
"0.18": 0.05,
"0.20": 0.05
},
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"method": "haCC(5)"
}
}
Table 1 (p. 5), haCC(5) column: the basis with the first- and second-shell He+ channels (1s, 2s, 2p) and the fully correlated neutral ground state. Rate of the atom (the width Gamma of the complex-scaled neutral ground state followed adiabatically in F; both electrons in the calculation), in au, against F in au. Accuracy (p. 4): ‘For field strengths, F < 0.1 a.u, we obtain agreement with literature values on the level of 10%. Above 0.1 a.u, the agreement improves and the largest difference is on the level of 5%. Notably, above 0.1 a.u field strength, the haCC(5) rates differ from rates in [17] by less than 1%.’ Recorded as 10 % below F = 0.1 au and 5 % from 0.1 au, level not stated.
majety_2015/table1_hacc1_He#
{
"id": "table1_hacc1_He",
"material": "He",
"file": "He/majety_2015__table1_hacc1_He.csv",
"table": "tbl_f4022cb09486",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "check",
"excluded_rows": {
"0.06": "printed '<10^-10': an upper bound, not a value (written 1e-10 for the record)"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"method": "haCC(1)"
}
}
Table 1 (p. 5), haCC(1) column: only the 1s He+ channel (with the correlated neutral ground state), the single-channel limit of the convergence study; 2-4 % below haCC(5). Rate of the atom (the width Gamma of the complex-scaled neutral ground state followed adiabatically in F; both electrons in the calculation), in au, against F in au.
majety_2015/table1_parker_2009_He#
{
"id": "table1_parker_2009_He",
"material": "He",
"file": "He/majety_2015__table1_parker_2009_He.csv",
"table": "tbl_f4022cb09486",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "reproduced",
"reproduced_from": [
"parker_2009"
],
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"method": "full-dimensional TDSE (Parker et al. 2009)"
}
}
Table 1 (p. 5), column [11] = Parker, Armstrong, Boca and Taylor 2009 (parker_2009): full-dimensional time-dependent He rates. Every cell is digit-identical to parker_2009 Table 1 ‘Present work’ at the same F (checked 2026-09-26).
majety_2015/table1_scrinzi_1999_He#
{
"id": "table1_scrinzi_1999_He",
"material": "He",
"file": "He/majety_2015__table1_scrinzi_1999_He.csv",
"table": "tbl_f4022cb09486",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "reproduced",
"reproduced_from": [
"scrinzi_1999"
],
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"method": "full-dimensional complex scaling (Scrinzi et al. 1999)"
}
}
Table 1 (p. 5), column [17] = Scrinzi, Geissler and Brabec 1999: full-dimensional time-independent (complex-scaling) He rates, F = 0.08-0.20 au (blank at 0.06 and 0.07). parker_2009 Table 1 prints the same values (its column ‘Scrinzi et al [3]’, checked 2026-09-26). The original, scrinzi_1999/table1_He (Table I, 60 fields 0.08-1.70 au), prints every one of these 11 values identically (checked 2026-09-27).
majety_2015/table1_themelis_1999_He#
{
"id": "table1_themelis_1999_He",
"material": "He",
"file": "He/majety_2015__table1_themelis_1999_He.csv",
"table": "tbl_f4022cb09486",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "reproduced",
"reproduced_from": [
"S. I. Themelis, T. Mercouris and C. A. Nicolaides, Phys. Rev. A 61, 024101 (1999)"
],
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"method": "full-dimensional state-specific (Themelis et al. 1999)"
}
}
Table 1 (p. 5), column [32] = Themelis, Mercouris and Nicolaides 1999: full-dimensional time-independent He rates, F = 0.07-0.20 au (blank at 0.06). parker_2009 Table 1 prints the same values (its column ‘Themelis et al [4]’, checked 2026-09-26).
majety_2015/table1_adk_He#
{
"id": "table1_adk_He",
"material": "He",
"file": "He/majety_2015__table1_adk_He.csv",
"table": "tbl_f4022cb09486",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "check",
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"method": "ADK formula"
}
}
Table 1 (p. 5), ‘ADK theory’ column: an evaluation of the ADK formula; the paper does not say with which Ip, quantum numbers or occupancy. Every cell is digit-identical to the ‘ADK theory [9]’ column of parker_2009 Table 1 (checked 2026-09-26). A formula evaluation, not data.
majety_2015/table2_parallel_hacc5_H2#
{
"id": "table2_parallel_hacc5_H2",
"material": "H2",
"file": "H2/majety_2015__table2_parallel_hacc5_H2.csv",
"table": "tbl_111da5b2e5e8",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"uncertainty": {
"relative": 0.04,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 0,
"method": "haCC(5)",
"internuclear_distance_au": 1.4
}
}
Table 2 (p. 5), haCC(5) column: basis with the lowest 5 ionic states, plus the fully correlated neutral ground state. Field parallel to the molecular axis (angle_deg = 0). H2 at the equilibrium internuclear distance R = 1.4 au (p. 4), fixed nuclei; rate of the molecule (the width of the complex-scaled neutral ground state), au, against F in au. Accuracy (p. 4): ‘The rates from the haCC(5) scheme are accurate below 4% with respect to the full dimensional calculations’ (Saenz 2000, dataset table2_parallel_saenz_2000_H2); recorded as 4 %, level not stated.
majety_2015/table2_parallel_hacc1_H2#
{
"id": "table2_parallel_hacc1_H2",
"material": "H2",
"file": "H2/majety_2015__table2_parallel_hacc1_H2.csv",
"table": "tbl_111da5b2e5e8",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "check",
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 0,
"method": "haCC(1)",
"internuclear_distance_au": 1.4
}
}
Table 2 (p. 5), haCC(1) column: basis with only the 1sigma_g H2+ channel (the single-channel limit), plus the fully correlated neutral ground state. Field parallel to the molecular axis (angle_deg = 0). H2 at the equilibrium internuclear distance R = 1.4 au (p. 4), fixed nuclei; rate of the molecule (the width of the complex-scaled neutral ground state), au, against F in au. p. 4: ‘the single ionic state calculations, haCC(1), yield rates that differ from the benchmark calculations by about 10%.’
majety_2015/table2_parallel_hacc2_H2#
{
"id": "table2_parallel_hacc2_H2",
"material": "H2",
"file": "H2/majety_2015__table2_parallel_hacc2_H2.csv",
"table": "tbl_111da5b2e5e8",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "check",
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 0,
"method": "haCC(2)",
"internuclear_distance_au": 1.4
}
}
Table 2 (p. 5), haCC(2) column: basis with the lowest 2 ionic states, plus the fully correlated neutral ground state. Field parallel to the molecular axis (angle_deg = 0). H2 at the equilibrium internuclear distance R = 1.4 au (p. 4), fixed nuclei; rate of the molecule (the width of the complex-scaled neutral ground state), au, against F in au.
majety_2015/table2_parallel_hacc4_H2#
{
"id": "table2_parallel_hacc4_H2",
"material": "H2",
"file": "H2/majety_2015__table2_parallel_hacc4_H2.csv",
"table": "tbl_111da5b2e5e8",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "check",
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 0,
"method": "haCC(4)",
"internuclear_distance_au": 1.4
}
}
Table 2 (p. 5), haCC(4) column: basis with the lowest 4 ionic states (degenerate states counted separately), plus the fully correlated neutral ground state. Field parallel to the molecular axis (angle_deg = 0). H2 at the equilibrium internuclear distance R = 1.4 au (p. 4), fixed nuclei; rate of the molecule (the width of the complex-scaled neutral ground state), au, against F in au.
majety_2015/table3_perpendicular_hacc5_H2#
{
"id": "table3_perpendicular_hacc5_H2",
"material": "H2",
"file": "H2/majety_2015__table3_perpendicular_hacc5_H2.csv",
"table": "tbl_73f51612f76d",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 90,
"method": "haCC(5)",
"internuclear_distance_au": 1.4
}
}
Table 3 (p. 5), haCC(5) column: basis with the lowest 5 ionic states, plus the fully correlated neutral ground state. Field perpendicular to the molecular axis (angle_deg = 90). H2 at the equilibrium internuclear distance R = 1.4 au (p. 4), fixed nuclei; rate of the molecule (the width of the complex-scaled neutral ground state), au, against F in au. p. 4: ‘For the case where the field is perpendicular to the molecular axis, the rates converge systematically to less than a few percent within the haCC schemes’ (no number: uncertainty left unstated). No full-dimensional benchmark exists for this orientation.
majety_2015/table3_perpendicular_hacc1_H2#
{
"id": "table3_perpendicular_hacc1_H2",
"material": "H2",
"file": "H2/majety_2015__table3_perpendicular_hacc1_H2.csv",
"table": "tbl_73f51612f76d",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "check",
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 90,
"method": "haCC(1)",
"internuclear_distance_au": 1.4
}
}
Table 3 (p. 5), haCC(1) column: basis with only the 1sigma_g H2+ channel (the single-channel limit), plus the fully correlated neutral ground state. Field perpendicular to the molecular axis (angle_deg = 90). H2 at the equilibrium internuclear distance R = 1.4 au (p. 4), fixed nuclei; rate of the molecule (the width of the complex-scaled neutral ground state), au, against F in au.
majety_2015/table3_perpendicular_hacc2_H2#
{
"id": "table3_perpendicular_hacc2_H2",
"material": "H2",
"file": "H2/majety_2015__table3_perpendicular_hacc2_H2.csv",
"table": "tbl_73f51612f76d",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "check",
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 90,
"method": "haCC(2)",
"internuclear_distance_au": 1.4
}
}
Table 3 (p. 5), haCC(2) column: basis with the lowest 2 ionic states, plus the fully correlated neutral ground state. Field perpendicular to the molecular axis (angle_deg = 90). H2 at the equilibrium internuclear distance R = 1.4 au (p. 4), fixed nuclei; rate of the molecule (the width of the complex-scaled neutral ground state), au, against F in au.
majety_2015/table3_perpendicular_hacc4_H2#
{
"id": "table3_perpendicular_hacc4_H2",
"material": "H2",
"file": "H2/majety_2015__table3_perpendicular_hacc4_H2.csv",
"table": "tbl_73f51612f76d",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "check",
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 90,
"method": "haCC(4)",
"internuclear_distance_au": 1.4
}
}
Table 3 (p. 5), haCC(4) column: basis with the lowest 4 ionic states (degenerate states counted separately), plus the fully correlated neutral ground state. Field perpendicular to the molecular axis (angle_deg = 90). H2 at the equilibrium internuclear distance R = 1.4 au (p. 4), fixed nuclei; rate of the molecule (the width of the complex-scaled neutral ground state), au, against F in au.
majety_2015/table2_parallel_saenz_2000_H2#
{
"id": "table2_parallel_saenz_2000_H2",
"material": "H2",
"file": "H2/majety_2015__table2_parallel_saenz_2000_H2.csv",
"table": "tbl_111da5b2e5e8",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "reproduced",
"reproduced_from": [
"saenz_2000"
],
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 0,
"method": "full-dimensional complex scaling (Saenz 2000)",
"internuclear_distance_au": 1.4
}
}
Table 2 (p. 5), column [18] = Saenz, Phys. Rev. A 61, 051402 (2000): the full-dimensional benchmark for H2 with the field parallel to the axis, R = 1.4 au, fixed nuclei (‘Full dimensional benchmark data is only available in literature for the case where the field is parallel to the molecular axis [18]’, p. 4). Not saenz_2002 (Phys. Rev. A 66, 063408), whose Table I holds vibrationally averaged frozen-nuclei rates (5.248e-5 at F = 0.06 au for v = 0, against 3.36e-5 here). The cited original, saenz_2000, prints no rate: its fixed-nuclei rates against R are in Figs. 2-4 only (Fig. 3: F = 0.053 38-0.12 au), so these four values cannot be checked against it; they are of the magnitude its Fig. 3 shows at R = 1.4 a0 (checked 2026-09-27).
majety_2015/table4_tz_N2#
{
"id": "table4_tz_N2",
"material": "N2",
"file": "N2/majety_2015__table4_tz_N2.csv",
"table": "tbl_c324d8092e8b",
"quantity": "ionization_energy",
"unit": "eV",
"abscissa": "label",
"use": "check",
"parameters": {
"kind": "vertical",
"method": "MRCIS/m-aug-cc-pvtz"
}
}
Table 4 (p. 6), m-aug-cc-pvtz column: the paper’s own vertical energies of the N2+ states, multi-reference CI singles (COLUMBUS) with the minimally augmented cc-pVTZ Gaussian basis: the ionic states of the haCC basis. Rows are the final ionic states, labelled as printed (the X row is the first vertical ionisation energy): energies of the ionic states ‘with respect to the neutral’ ground state at the equilibrium geometry, in eV. p. 6: ‘The first ionization potential, that is crucial for total ionization rates varies on the level of 10^-3 a.u within different haCC schemes and the experimental value.’ The X row is printed with one decimal (15.5) and C (26.0) above D (25.45), as in the image.
majety_2015/table4_qz_N2#
{
"id": "table4_qz_N2",
"material": "N2",
"file": "N2/majety_2015__table4_qz_N2.csv",
"table": "tbl_c324d8092e8b",
"quantity": "ionization_energy",
"unit": "eV",
"abscissa": "label",
"use": "check",
"parameters": {
"kind": "vertical",
"final_state": "X2Sigma_g+",
"method": "MRCIS/m-aug-cc-pvqz"
}
}
Table 4 (p. 6), m-aug-cc-pvqz column: the X state only (the other rows printed as dashes), the paper’s own MRCIS vertical energy with the minimally augmented cc-pVQZ basis. Rows are the final ionic states, labelled as printed (the X row is the first vertical ionisation energy): energies of the ionic states ‘with respect to the neutral’ ground state at the equilibrium geometry, in eV.
majety_2015/table4_svensson_1991_N2#
{
"id": "table4_svensson_1991_N2",
"material": "N2",
"file": "N2/majety_2015__table4_svensson_1991_N2.csv",
"table": "tbl_c324d8092e8b",
"quantity": "ionization_energy",
"unit": "eV",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"S. Svensson, M. Carlsson-Gthe, L. Karlsson, A. Nilsson, N. Mrtensson and U. Gelius, Phys. Scr. 44, 184 (1991) (names as printed)"
],
"parameters": {
"kind": "vertical"
}
}
Table 4 (p. 6), column ‘Svensson et al [35]’: the experimental (photoelectron) vertical energies the paper compares with. Rows are the final ionic states, labelled as printed (the X row is the first vertical ionisation energy): energies of the ionic states ‘with respect to the neutral’ ground state at the equilibrium geometry, in eV.
majety_2015/table5_tz_CO#
{
"id": "table5_tz_CO",
"material": "CO",
"file": "CO/majety_2015__table5_tz_CO.csv",
"table": "tbl_80132d1acc1b",
"quantity": "ionization_energy",
"unit": "eV",
"abscissa": "label",
"use": "check",
"parameters": {
"kind": "vertical",
"method": "MRCIS/m-aug-cc-pvtz"
}
}
Table 5 (p. 8), m-aug-cc-pvtz column: the paper’s own vertical energies of the CO+ states (MRCIS, m-aug-cc-pvtz); ‘the first ionization potential from different haCC schemes vary on the level of 10^-3 a.u’ (p. 7). Rows are the final ionic states, labelled as printed (the X row is the first vertical ionisation energy): energies of the ionic states ‘with respect to the neutral’ ground state at the equilibrium geometry, in eV. The fourth state is printed D^2Pi_u (image checked): a g/u label has no meaning for the heteronuclear CO, a misprint of the label, kept as printed in the row id.
majety_2015/table5_baltzer_1994_CO#
{
"id": "table5_baltzer_1994_CO",
"material": "CO",
"file": "CO/majety_2015__table5_baltzer_1994_CO.csv",
"table": "tbl_80132d1acc1b",
"quantity": "ionization_energy",
"unit": "eV",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"P. Baltzer, M. Lundqvist, B. Wannberg, L. Karlsson, M. Larsson, M. A. Hayes, J. B. West, M. R. F. Siggel, A. C. Parr and J. L. Dehmer, J. Phys. B 27, 4915 (1994)"
],
"parameters": {
"kind": "vertical"
}
}
Table 5 (p. 8), column ‘Baltzer et al [36]’: earlier (photoelectron) vertical energies; no value for D (a dash). Rows are the final ionic states, labelled as printed (the X row is the first vertical ionisation energy): energies of the ionic states ‘with respect to the neutral’ ground state at the equilibrium geometry, in eV.
majety_2015/table5_svensson_1991_CO#
{
"id": "table5_svensson_1991_CO",
"material": "CO",
"file": "CO/majety_2015__table5_svensson_1991_CO.csv",
"table": "tbl_80132d1acc1b",
"quantity": "ionization_energy",
"unit": "eV",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"S. Svensson, M. Carlsson-Gthe, L. Karlsson, A. Nilsson, N. Mrtensson and U. Gelius, Phys. Scr. 44, 184 (1991) (names as printed)"
],
"parameters": {
"kind": "vertical"
}
}
Table 5 (p. 8), column ‘Svensson et al [35]’: experimental (photoelectron) vertical energies. Rows are the final ionic states, labelled as printed (the X row is the first vertical ionisation energy): energies of the ionic states ‘with respect to the neutral’ ground state at the equilibrium geometry, in eV.
majety_2015/tableA1_N2_0deg#
{
"id": "tableA1_N2_0deg",
"material": "N2",
"file": "N2/majety_2015__tableA1_N2_0deg.csv",
"table": "tbl_8edc6fedf30a",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.02": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 0,
"method": "haCC(5)"
}
}
Table A1 (p. 10), haCC(5), angle 0 deg between the molecular axis and the field vector. N2 at its equilibrium internuclear distance (not printed); total rate of the molecule (the width of the complex-scaled neutral ground state: all channels of the basis together, not per orbital), au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA1_N2_15deg#
{
"id": "tableA1_N2_15deg",
"material": "N2",
"file": "N2/majety_2015__tableA1_N2_15deg.csv",
"table": "tbl_8edc6fedf30a",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.02": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 15,
"method": "haCC(5)"
}
}
Table A1 (p. 10), haCC(5), angle 15 deg between the molecular axis and the field vector. N2 at its equilibrium internuclear distance (not printed); total rate of the molecule (the width of the complex-scaled neutral ground state: all channels of the basis together, not per orbital), au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA1_N2_30deg#
{
"id": "tableA1_N2_30deg",
"material": "N2",
"file": "N2/majety_2015__tableA1_N2_30deg.csv",
"table": "tbl_8edc6fedf30a",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.02": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 30,
"method": "haCC(5)"
}
}
Table A1 (p. 10), haCC(5), angle 30 deg between the molecular axis and the field vector. N2 at its equilibrium internuclear distance (not printed); total rate of the molecule (the width of the complex-scaled neutral ground state: all channels of the basis together, not per orbital), au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA1_N2_45deg#
{
"id": "tableA1_N2_45deg",
"material": "N2",
"file": "N2/majety_2015__tableA1_N2_45deg.csv",
"table": "tbl_8edc6fedf30a",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.02": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 45,
"method": "haCC(5)"
}
}
Table A1 (p. 10), haCC(5), angle 45 deg between the molecular axis and the field vector. N2 at its equilibrium internuclear distance (not printed); total rate of the molecule (the width of the complex-scaled neutral ground state: all channels of the basis together, not per orbital), au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA1_N2_60deg#
{
"id": "tableA1_N2_60deg",
"material": "N2",
"file": "N2/majety_2015__tableA1_N2_60deg.csv",
"table": "tbl_8edc6fedf30a",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.02": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 60,
"method": "haCC(5)"
}
}
Table A1 (p. 10), haCC(5), angle 60 deg between the molecular axis and the field vector. N2 at its equilibrium internuclear distance (not printed); total rate of the molecule (the width of the complex-scaled neutral ground state: all channels of the basis together, not per orbital), au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA1_N2_75deg#
{
"id": "tableA1_N2_75deg",
"material": "N2",
"file": "N2/majety_2015__tableA1_N2_75deg.csv",
"table": "tbl_8edc6fedf30a",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.02": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 75,
"method": "haCC(5)"
}
}
Table A1 (p. 10), haCC(5), angle 75 deg between the molecular axis and the field vector. N2 at its equilibrium internuclear distance (not printed); total rate of the molecule (the width of the complex-scaled neutral ground state: all channels of the basis together, not per orbital), au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA1_N2_90deg#
{
"id": "tableA1_N2_90deg",
"material": "N2",
"file": "N2/majety_2015__tableA1_N2_90deg.csv",
"table": "tbl_8edc6fedf30a",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.02": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 90,
"method": "haCC(5)"
}
}
Table A1 (p. 10), haCC(5), angle 90 deg between the molecular axis and the field vector. N2 at its equilibrium internuclear distance (not printed); total rate of the molecule (the width of the complex-scaled neutral ground state: all channels of the basis together, not per orbital), au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA2_CO_0deg#
{
"id": "tableA2_CO_0deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_0deg.csv",
"table": "tbl_4299943f807c",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 0,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 0 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA2_CO_15deg#
{
"id": "tableA2_CO_15deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_15deg.csv",
"table": "tbl_4299943f807c",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 15,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 15 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA2_CO_30deg#
{
"id": "tableA2_CO_30deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_30deg.csv",
"table": "tbl_4299943f807c",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 30,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 30 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA2_CO_45deg#
{
"id": "tableA2_CO_45deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_45deg.csv",
"table": "tbl_4299943f807c",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 45,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 45 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA2_CO_60deg#
{
"id": "tableA2_CO_60deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_60deg.csv",
"table": "tbl_4299943f807c",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 60,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 60 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA2_CO_75deg#
{
"id": "tableA2_CO_75deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_75deg.csv",
"table": "tbl_4299943f807c",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 75,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 75 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA2_CO_90deg#
{
"id": "tableA2_CO_90deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_90deg.csv",
"table": "tbl_4299943f807c",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 90,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 90 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes).
majety_2015/tableA2_CO_105deg#
{
"id": "tableA2_CO_105deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_105deg.csv",
"table": "tbl_141c6c5af7dd",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 105,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 105 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes). Columns 105-180 deg are the table’s continuation, a separate unlabelled table in the library.
majety_2015/tableA2_CO_120deg#
{
"id": "tableA2_CO_120deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_120deg.csv",
"table": "tbl_141c6c5af7dd",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 120,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 120 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes). Columns 105-180 deg are the table’s continuation, a separate unlabelled table in the library.
majety_2015/tableA2_CO_135deg#
{
"id": "tableA2_CO_135deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_135deg.csv",
"table": "tbl_141c6c5af7dd",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 135,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 135 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes). Columns 105-180 deg are the table’s continuation, a separate unlabelled table in the library.
majety_2015/tableA2_CO_150deg#
{
"id": "tableA2_CO_150deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_150deg.csv",
"table": "tbl_141c6c5af7dd",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 150,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 150 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes). Columns 105-180 deg are the table’s continuation, a separate unlabelled table in the library.
majety_2015/tableA2_CO_165deg#
{
"id": "tableA2_CO_165deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_165deg.csv",
"table": "tbl_141c6c5af7dd",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 165,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 165 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes). Columns 105-180 deg are the table’s continuation, a separate unlabelled table in the library.
majety_2015/tableA2_CO_180deg#
{
"id": "tableA2_CO_180deg",
"material": "CO",
"file": "CO/majety_2015__tableA2_CO_180deg.csv",
"table": "tbl_141c6c5af7dd",
"quantity": "ionization_rate",
"unit": "au",
"abscissa": "field",
"abscissa_unit": "au",
"use": "primary",
"excluded_rows": {
"0.020": "printed '<10^-12': an upper bound, not a value (written 1e-12 for the record)"
},
"uncertainty": {
"relative": 0.1,
"level": "not stated"
},
"parameters": {
"wavelength_nm": Infinity,
"polarization": "static",
"angle_deg": 180,
"method": "haCC(6)"
}
}
Table A2 (p. 10), haCC(6), angle 180 deg between the molecular axis and the field vector; 0 deg is the field pointing from the O atom to the C atom (Fig. 5 caption, p. 9). CO at its equilibrium internuclear distance (not printed); total rate of the molecule, au, against F in au. Accuracy about 10 %, level not stated (see the record’s notes). Columns 105-180 deg are the table’s continuation, a separate unlabelled table in the library.
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.