William C. Martin and Jack Sugar, "Perturbations and Coupling in the d9sp Configurations of Cu i, Zn ii, Ag i, Cd ii, and Tl iii," J. Opt. Soc. Am. 59, 1266-1280 (1969)
Application of intermediate coupling theory to 3d94s4p in Cu i and Zn ii revealed strong perturbations that could not be due to configuration types 3d10nl. The 3d94s4p levels except 4s4p(1P°)3d9 2P° were then fitted by including interaction with 3d84s24p. Energy parameters for 3d84s24p, for which no experimental levels are known, were fixed at values based on related spectra. The results show that this interaction accounts for the major distortions of 3d94s4p in Cu i and Zn ii. The resulting interaction-parameter values appear consistent with values for related iron-group spectra. The discrepancies between calculated and experimental positions for
are consistent with known 3d10np2P0 series perturbations in Cu i, Zn ii. Calculations without interaction for 4d95s5p in Ag i and Cd ii indicate interaction with 4d85s25p, but weaker than the corresponding interaction in the Cu i sequence. The levels of Tl iii (5d96s6p+5d107p) were fitted with configuration interaction. One experimental d9sp level is rejected in Zn ii, Ag i, and Tl iii. Corresponding new levels are found for Zn ii and Ag i. Leading eigenvector components for the d9sp levels in the [sp(SILI), d9]SL and [sp(SILI)JI, (d9)JII]J coupling schemes are given for all five spectra. The Tl iii levels are assigned JIJII names as most appropriate.
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Calculated energy levels for Cu i 3d94s4p. Parameters (given under “Diag. 1” in Table II) were adjusted by including only
of the upper levels along with the lower 17 levels in the least-squares fitting.
Difference between experimental and calculated positions. Differences in parentheses are for levels not included in the adjustment of the parameters to the experimental levels.
At least 90% of the composition is given. All components listed for the seventeen low levels have pure 4s4p(3P0) parentage and all components for the six upper levels are of 4s4p(1P0) parentage.
Table II
Parameter values for 3d94s4p and (3d94s4p+3d84S24p) in Cu i. All values in cm−1. Primed letters refer to 3d84s24p. Values for which no standard errors are given were fixed in the calculations. The rms error refers to the level fit and is defined in Ref. 9.
Diag. 1
Diag. 2
Diag. 3
A
50692±62
51474 ± 25
51551 ± 13
A′−A
44000
44000
B′
1000
1000
C′
4500
4500
G2(ds)
1136±69
1058 ± 21
1550
G1(sp)
7458±32
8115 ± 23
8425 ± 17
F2(pd)
315± 5
327.9± 1.9
329.0± 1.2
F2′(pd)
479
480.0
G1(pd)
285±10
304 ± 4
284.0± 1.7
G1′(pd)
304
284.0
G3(pd)
42± 4
50.5± 1.5
51.2± 0.9
G3′(pd)
50.5
51.2
Es
425 ± 11
R2(dp,sp)
11755 ±620
12230 ±365
R1(dp,ps)
15274 ±226
15270 ±125
ζp
316±40
360 ± 14
375 ± 8
ζp′
360
375
ζd
823±23
826 ± 5
836 ± 3
ζd′
826
836
rms error
60
19
12
Table III
Calculated energy levels for Zn ii 3d94s4p. Parameters (given under Diag. 1 in Table IV) were adjusted by including only
of the upper levels along with the lower seventeen levels in the least squares fitting.
Except for
at 106779 cm−1 these levels are essentially as given by Crooker and Dick [Ref. 11]. The experimental basis for
the new position is given in Ref. 14. Most of the other positions here are less by 1 or 2 cm−1 than the values in Ref. 11. The new positions are based on a re-observation of a portion of the Zn ii spectrum [Ref. 15].
Difference between experimental and calculated positions. Differences in parentheses are for levels not included in the adjustment of the parameters to the experimental levels.
At least 90% of the composition is given. All components listed for the seventeen low levels have pure 4s4p(3P0) parentage and all components for the six upper levels are of 4s4p(1P0) parentage.
Table IV
Parameter values for 3d34s4p and (3d94s4p+3d84s24p) in Zn ii. All values in cm−1. Primed letters refer to 3d84s24p. Values for which no standard errors are given were fixed in the calculations.
A. G. Blachman, D. A. Landman, and A. Lurio, Phys. Rev. 181, 70 (1969). The two-place g values are from Ref. 10.
Experimental determination of g-value is poor [Ref. 10].
Deviations in parentheses are for experimental positions not entered in the least-squares adjustment of parameters.
At least 90% of the total composition is given.
Table VI
Calculated energy levels for Zn ii 3d94s4p including interaction with 3d84s24p. Parameters are given in Table IV (Diag. 3).
Deviations in parentheses refer to levels not entered into the least-squares adjustment of parameter values.
Either the three leading components or at least 90% of the composition is given for each level.
Table VII
Calculated energy levels for Cd ii 4d95s5p. Parameters for this calculation are given in Table VIII.
Name changed from previous designation in Refs. 26, 10.
In the least-squares calculation the position for this level was taken as 129475 cm−1 (see text); the deviation from the calculated position reproduces a known perturbation.
The two deviations in parentheses indicate levels not entered into the least-squares adjustments.
At least 85% of the composition is given for all levels except the
level assigned to 5p′2F0. Three leading components for this level give 82% of the composition.
Table VIII
Parameters for 4d95s5p in Cd ii and Ag i. Values in cm−1.
The designations of these levels have been changed from those given in Ref. 26.
New level (see Ref. 14).
Values in parentheses indicate experimental levels not used in the least-squares adjustment of parameters.
At least 85% of the total composition is given. The components given for 5p′ levels have 5s5p(3P0) parentage, and those for 5p″ levels have 5s5p(1P0) parentage.
Table X
Calculated energy levels for Tl iii (5d96s6p+5d107p).
Differences in parentheses are for level positions not entered into the least-squares fitting calculations.
At least 80% of the composition for each level is given. For terms of JI = 1, a single prime indicates sp3P0 and double prime sp1P0.
For all levels to have unique LS names, it is necessary to assign this level to 4D0. (Second component is 40% 4D0.)
For all levels to have unique LS names, it is necessary to assign this level to 4F0. (Second component is 35% 4F0.)
Table XI
Parameter values for Tl iii (5d36s6p+5d107p). Unit is cm−1.
Combination array33 for certain levels of Zn ii. Level values and line positions are given in cm−1. Estimated relative intensities for lines in the same region are given above the combinations. The lines lie in four different spectral regions corresponding to the different even terms.
Since these lines are given as diffuse by Dick33 a tolerance of several cm−1 was allowed in classifying them. Their intensities are from exposures with a spectrograph different from the line at 28448 cm−1.
Tables (12)
Table I
Calculated energy levels for Cu i 3d94s4p. Parameters (given under “Diag. 1” in Table II) were adjusted by including only
of the upper levels along with the lower 17 levels in the least-squares fitting.
Difference between experimental and calculated positions. Differences in parentheses are for levels not included in the adjustment of the parameters to the experimental levels.
At least 90% of the composition is given. All components listed for the seventeen low levels have pure 4s4p(3P0) parentage and all components for the six upper levels are of 4s4p(1P0) parentage.
Table II
Parameter values for 3d94s4p and (3d94s4p+3d84S24p) in Cu i. All values in cm−1. Primed letters refer to 3d84s24p. Values for which no standard errors are given were fixed in the calculations. The rms error refers to the level fit and is defined in Ref. 9.
Diag. 1
Diag. 2
Diag. 3
A
50692±62
51474 ± 25
51551 ± 13
A′−A
44000
44000
B′
1000
1000
C′
4500
4500
G2(ds)
1136±69
1058 ± 21
1550
G1(sp)
7458±32
8115 ± 23
8425 ± 17
F2(pd)
315± 5
327.9± 1.9
329.0± 1.2
F2′(pd)
479
480.0
G1(pd)
285±10
304 ± 4
284.0± 1.7
G1′(pd)
304
284.0
G3(pd)
42± 4
50.5± 1.5
51.2± 0.9
G3′(pd)
50.5
51.2
Es
425 ± 11
R2(dp,sp)
11755 ±620
12230 ±365
R1(dp,ps)
15274 ±226
15270 ±125
ζp
316±40
360 ± 14
375 ± 8
ζp′
360
375
ζd
823±23
826 ± 5
836 ± 3
ζd′
826
836
rms error
60
19
12
Table III
Calculated energy levels for Zn ii 3d94s4p. Parameters (given under Diag. 1 in Table IV) were adjusted by including only
of the upper levels along with the lower seventeen levels in the least squares fitting.
Except for
at 106779 cm−1 these levels are essentially as given by Crooker and Dick [Ref. 11]. The experimental basis for
the new position is given in Ref. 14. Most of the other positions here are less by 1 or 2 cm−1 than the values in Ref. 11. The new positions are based on a re-observation of a portion of the Zn ii spectrum [Ref. 15].
Difference between experimental and calculated positions. Differences in parentheses are for levels not included in the adjustment of the parameters to the experimental levels.
At least 90% of the composition is given. All components listed for the seventeen low levels have pure 4s4p(3P0) parentage and all components for the six upper levels are of 4s4p(1P0) parentage.
Table IV
Parameter values for 3d34s4p and (3d94s4p+3d84s24p) in Zn ii. All values in cm−1. Primed letters refer to 3d84s24p. Values for which no standard errors are given were fixed in the calculations.
A. G. Blachman, D. A. Landman, and A. Lurio, Phys. Rev. 181, 70 (1969). The two-place g values are from Ref. 10.
Experimental determination of g-value is poor [Ref. 10].
Deviations in parentheses are for experimental positions not entered in the least-squares adjustment of parameters.
At least 90% of the total composition is given.
Table VI
Calculated energy levels for Zn ii 3d94s4p including interaction with 3d84s24p. Parameters are given in Table IV (Diag. 3).
Deviations in parentheses refer to levels not entered into the least-squares adjustment of parameter values.
Either the three leading components or at least 90% of the composition is given for each level.
Table VII
Calculated energy levels for Cd ii 4d95s5p. Parameters for this calculation are given in Table VIII.
Name changed from previous designation in Refs. 26, 10.
In the least-squares calculation the position for this level was taken as 129475 cm−1 (see text); the deviation from the calculated position reproduces a known perturbation.
The two deviations in parentheses indicate levels not entered into the least-squares adjustments.
At least 85% of the composition is given for all levels except the
level assigned to 5p′2F0. Three leading components for this level give 82% of the composition.
Table VIII
Parameters for 4d95s5p in Cd ii and Ag i. Values in cm−1.
The designations of these levels have been changed from those given in Ref. 26.
New level (see Ref. 14).
Values in parentheses indicate experimental levels not used in the least-squares adjustment of parameters.
At least 85% of the total composition is given. The components given for 5p′ levels have 5s5p(3P0) parentage, and those for 5p″ levels have 5s5p(1P0) parentage.
Table X
Calculated energy levels for Tl iii (5d96s6p+5d107p).
Differences in parentheses are for level positions not entered into the least-squares fitting calculations.
At least 80% of the composition for each level is given. For terms of JI = 1, a single prime indicates sp3P0 and double prime sp1P0.
For all levels to have unique LS names, it is necessary to assign this level to 4D0. (Second component is 40% 4D0.)
For all levels to have unique LS names, it is necessary to assign this level to 4F0. (Second component is 35% 4F0.)
Table XI
Parameter values for Tl iii (5d36s6p+5d107p). Unit is cm−1.
Combination array33 for certain levels of Zn ii. Level values and line positions are given in cm−1. Estimated relative intensities for lines in the same region are given above the combinations. The lines lie in four different spectral regions corresponding to the different even terms.
Since these lines are given as diffuse by Dick33 a tolerance of several cm−1 was allowed in classifying them. Their intensities are from exposures with a spectrograph different from the line at 28448 cm−1.
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