Table 1.
HFS Constants A and B Used in Our Computations
Line (nm)Upper Level (
cm
−
1
)
j
A
121
a
(mK)
B
121
a
(mK)
A
123
b
(mK)
B
123
b
(mK)Lower Level (
cm
−
1
)
j
A
121
a
(mK)
B
121
a
(mK)
A
123
b
(mK)
B
123
b
(mK)363.8 45945.3 3/2 17.3(0.2) −16.0(0.5) 9.42(0.13) −18.6(2.4) 18464.2 3/2 22.71(0.04) 14.6(0.1) 11.89(0.13) 14.7(2.8) 372.3 43249.3 1/2 75.8(0.5) 41.42(0.09) 16395.4 1/2 163.7(0.1) 89.16(0.41) 403.4 43249.3 1/2 75.8(0.5) 41.42(0.09) 18464.2 3/2 22.71(0.04) 14.6(0.1) 11.89(0.13) 14.7(2.8) 792.5 55864.8 3/2 9.6(0.1) 8.4(1.1) 5.06(0.14) 13.99(3.1) 43249.3 1/2 75.8(0.5) 41.51(0.09) 841.2 55134.3 3/2 2.2(1.0) −4.2(1.4) 1.07(0.21) 5.1(9.9) 43249.3 1/2 75.8(0.5) 41.42(0.09) 1067.7 52612.4 3/2 1.5(1.1) −1.7(2.3) 0.84(0.12) 2.6(5.3) 43249.34 1/2 75.8(0.5) 41.42(0.09) 1074.2 55252.13 5/2 −4.2(0.3) −13.6(1.3) −2.12(0.16) −14.99(5.11) 45945.34 3/2 17.3(0.2) −16.0(0.5) 9.42(0.13) −18.6(4.2) 563.2 61000.3 3/2 0.7(1.1) 0.4(1.4) 0.26(0.09) 8.1(14.5) 43249.3 1/2 75.8(0.5) 41.42(0.09)
a
Experimental data from [
18 ] used in the fitting procedure.
b
Experimental results of our measurements partly presented in paper [
1 ].
Table 2.
Measured Isotope Shifts
Sb
123
−
Sb
121
in Lines of Sb I
IS
(
Sb
123
−
Sb
121
)
(mK) Line (nm) Upper Level (
cm
−
1
) Lower Level (
cm
−
1
) Our Exp. Others [12 ]
Sb
121
/
Sb
123
(%)363.8 45945.3 3/2 18464.2 3/2
8.47
±
0.93
5.0
±
1.0
61.44/38.56 372.3 43249.3 1/2 16395.4 1/2
8.51
±
0.34
7.0
±
2.0
58.19/41.81 403.4 43249.3 1/2 18464.2 3/2
8.28
±
0.63
6.0
±
1.5
55.11/44.89 792.5 55864.8 3/2 43249.3 1/2
−
3.74
±
0.58
58.40/41.60 841.2 55134.3 3/2 43249.3 1/2
−
3.67
±
0.63
57.91/42.10 1067.7 52612.4 3/2 43249.34 1/2
−
3.85
±
0.46
58.34/41.66 1074.2 55252.13 5/2 45945.34 3/2
−
2.15
±
0.72
55.78/41.22 563.2 61000.3 3/2 43249.3 1/2
−
2.68
±
0.55
54.95/45.05
Table 3.
Evaluation of Normal Mass Shifts
Line (nm) NMS (mK) 363.8 2.014 372.3 1.967 403.4 1.816 563.2 1.301 792.5 0.924 841.2 0.871 1067.7 0.686 1074.2 0.682
Table 4.
Vinti Integrals of Sb I and Deduced SMS
Config.
V
2
(a.u.)SMS (mK)
5
p
3
2049.147121 4.00
5
p
2
6
p
2048.885507 −0.20
5
p
2
7
p
2048.873527 −0.40
5
p
2
8
p
2048.870506 −0.43
5
p
2
9
p
2048.869328 −0.47
5
p
2
4
f
2048.867621 −0.50
5
p
2
6
s
a
2048.897949 0
5
p
2
7
s
2048.875230 −0.37
5
p
2
8
s
2048.870936 −0.43
5
p
2
5
d
2048.885649 −0.20
5
p
2
6
d
2048.873365 −0.40
5
p
2
7
d
2048.870471 −0.43
5
p
2
8
d
2048.869332 −0.47
5
s
5
p
4
2049.109493 3.40
a
Taken as the reference configuration.
Table 5.
Pseudo-Relativistic Hartree–Fock Estimates of
4
π
|
Ψ
(
0
)
|
2
(in a.u.) for Configurations Studied in the Present Paper Using the PSUHFR Code [27 ]
Configuration
5
s
5
p
4
5
p
2
6
s
5
p
2
7
s
5
p
2
8
s
5
p
2
4
f
5
p
2
6
p
5
p
2
7
p
5
p
2
8
p
5
p
2
5
f
5
p
2
5
d
5
p
2
6
d
5
p
2
7
d
5
p
2
8
d
5
p
3
1s 944880 944886 944883 944880 944885.4 944879.4 944882.8 944883.1 944883.4 944882.2 944881 944883.8 944886.1 944885.6 2s 104264 104267 104268 104268 104267.3 104266.9 104267 104267.6 104266.9 104267.6 104266 104267 104266.9 104266.6 3s 20225 20230 20229 20229 20229.4 20229.3 20229.3 20229.3 20229.3 20229.2 20229 20229.4 20229.3 20228.5 4s 3906 3917 3917 3917 3916.4 3916.3 3916.3 3916.4 3916.4 3916.2 3916 3916.3 3916.4 3915.4 5s 414.38 429 429 429 429.3 428.3 428.9 429.1 429.3 428.2 429 429 429.1 395.9 6s 27.14 7s 8.05 8s 3.52 Total s-electron density
a
2146963 2147485 2147462 2147449 2147456 2147441 2147449 2147451 2147451 2147447 2147445 2147451 2147456 2147384
a
Totals are contributions from all s-orbitals weighted by their occupation number.
Table 6.
Field Shift Effect of Sb I Configurations (mK)
5
p
3
−10.54
5
p
2
6
p
−4.60
5
p
2
7
p
−3.76
5
p
2
8
p
−3.55
5
p
2
6
s
a
0
5
p
2
4
f
−3.03
5
p
2
5
f
−3.55
5
p
2
7
s
−2.40
5
p
2
8
s
−3.76
5
p
2
5
d
−3.97
5
p
2
6
d
−4.18
5
p
2
7
d
−3.55
5
p
2
8
d
−3.03
5
s
5
p
4
−54.58
a
Taken as the reference configuration.
Table 7.
Calculated Components of Residual Isotope Shifts for Odd-Parity Levels of Sb I: FS and SMS Values
5
p
3
(%)
5
p
2
6
p
(%)
5
p
2
7
p
(%)
5
p
2
8
p
(%)FS (mK) SMS (mK) FS + SMS (mK)
J
=
1
/
2
16395.4 99.69 0.23 −10.52 3.98 −6.54 55993.9 99.62 0.25 −4.66 −0.2 −4.86 58653.0 92.5 6.68 0.53 −4.57 −0.21 −4.78 18464.2 99.73 0.2 −10.52 3.99 −6.53
J
=
3
/
2
52612.5 99.59 0.25 −4.66 −0.2 −4.86 55134.3 99.27 0.5 −4.66 −0.2 −4.86 55864.8 99.68 0.17 −4.66 −0.2 −4.86 61000.3 2.58 97.28 −3.86 −0.39 −4.25
J
=
5
/
2
55252.1 99.39 0.39 −4.66 −0.2 −4.86 58835.4 99.53 −4.67 −0.2 −4.87 63790.9 15.35 83.68 −3.95 −0.37 −4.32 66837.6 1.8 88.3 7.3 −3.78 −0.39 −4.17
Table 8.
Calculated Components of Residual Isotope Shifts for Even-Parity Levels of Sb I: FS and SMS Values
5
p
2
5
s
2
6
s
(%)
5
p
2
5
s
2
5
d
(%)
5
p
2
5
s
2
6
d
(%)
5
p
4
5
s
(%)FS (mK) SMS (mK) FS + SMS (mK)
J
=
1
/
2
43249.336 99.35 0.44 −0.02 0 −0.02 46991.059 95.46 4.04 0.28 −0.16 0 −0.16
J
=
3
/
2
45945.34 99.46 0.3 0.14 −0.01 0 −0.01 49391.13 88.99 10.03 0.55 −0.4 −0.02 −0.42
J
=
5
/
2
48332.426 99.34 0.22 0.29 −0.01 0 −0.01
Table 9.
Comparison between Experimental and Calculated Isotope Shifts
Line (nm)Upper Level (
cm
−
1
) Lower Level (
cm
−
1
)
IS
Cal
.
(mK)
IS
Exp
.
(mK)363.8 45945.3 18464.2 8.53
8.47
±
0.93
372.3 43249.3 16395.4 8.51
8.51
±
0.34
403.4 43249.3 18464.2 8.33
8.28
±
0.63
563.2 61000.3 43249.3 −2.93
−
2.68
±
0.55
792.5 55864.8 43249.3 −3.92
−
3.74
±
0.58
841.2 55134.3 43249.3 −3.97
−
3.67
±
0.63
1067.7 52612.4 43249.3 −4.15
−
3.85
±
0.46
1074.2 55252.1 45945.3 −4.17
−
2.15
±
0.72