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Table 1

Radial function parameters.

Calculation A orbitals Calculation B orbitals
nl c jnl I jnl ξ jnl nl c jnl I jnl ξ jnl


3d 0.33129 3 4.75253 3d 0.38964 3 4.78505
0.02520 3 12.83200 0.02658 3 12.61424
0.20376 3 7.12077 0.19050 3 7.33427
0.41773 3 2.78709 0.43374 3 2.75725
0.21053 3 1.57027 0.11658 3 1.70426
4s 0.74777 4 1.96330 4s 0.74777 4 1.96330
0.31820 4 1.20201 0.31820 4 1.20201
0.04510 1 21.16845 0.04510 1 21.16845
0.17189 2 9.87822 0.17189 2 9.87822
0.32197 3 5.72256 0.32197 3 5.72256
4p 0.09078 2 11.77700 4p 0.09078 2 11.77700
0.22250 3 5.44980 0.22250 3 5.44980
1.00061 4 1.46980 1.00061 4 1.46980
4d 0.58623 3 5.72649 4d 0.43905 3 5.47020
0.89919 4 1.78674 0.95403 4 1.60565
4f 1.00000 4 4.59342 4f 1.00000 4 4.59342
5s 0.06943 1 22.91049
0.49485 2 7.63918
0.72382 3 6.82835
1.45620 4 2.08922
1.49883 5 1.60893
5p 0.16749 2 8.47501
0.25119 3 7.41910
2.16343 4 1.14283
2.68116 5 1.11790
6p 0.13505 2 14.63558
2.88122 3 2.49536
4.74677 4 2.54831
2.56056 5 1.84460
0.95040 6 1.32679

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