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Table 2

Radial scaling parameters used for CI expansions of each ion.

Se0
Orbital Small Medium Large

1s 1.25936 1.25385 1.25535
2s 1.09800 1.09813 1.09987
2p 1.06516 1.06543 1.06445
3s 1.02964 1.02983 1.03142
3p 1.01691 1.01707 1.01706
3d 0.98901 0.98953 0.98912
4s 0.96050 0.96355 0.96485
4p 0.97914 0.98363 0.98332
4d ... 1.00469 1.03918
4f ... 1.02392 1.01451
5s ... 0.97193 1.03068
5p ... 1.03442 1.02918
5d ... ... 1.01438

Se+
Orbital Small Medium Large

1s 1.25216 1.25516 1.25364
2s 1.09851 1.09631 1.09585
2p 1.06482 1.06447 1.06307
3s 1.03101 1.02970 1.03059
3p 1.01607 1.01610 1.01536
3d 0.98874 0.98929 0.98970
4s 0.96953 0.96867 0.97226
4p 0.97901 0.98050 0.97058
4d ... 0.99909 0.99017
5s ... 0.98123 0.98732
5p ... 1.01508 1.02418
5d ... ... 1.03819

Se2+
Orbital Small Medium Large

1s 1.26607 1.25544 1.25389
2s 1.09894 1.09742 1.09713
2p 1.06384 1.06381 1.06429
3s 1.03177 1.03118 1.03111
3p 1.01549 1.01509 1.01696
3d 0.98797 0.98820 0.98923
4s 0.97518 0.98274 0.97642
4p 0.98166 0.98982 0.99900
4d 0.98458 0.98379 1.00493
4f ... ... 1.09951
5s ... ... 0.98270
5p ... ... 1.01451
5d ... ... 1.02193

Se3+
Orbital Small Medium Large

1s 1.25706 1.25957 1.25060
2s 1.09599 1.09701 1.09890
2p 1.06234 1.06303 1.06278
3s 1.02897 1.03152 1.03118
3p 1.01422 1.01569 1.01614
3d 0.98716 0.98855 0.98899
4s 0.97684 0.97863 0.98035
4p 0.98730 1.00378 1.00134
4d 0.97966 1.00165 1.00353
4f ... ... 1.04938
5s ... ... 1.01012
5p ... ... 0.97718
5d ... ... 0.97798

Se4+
Orbital Small Medium Large

1s 1.25396 1.26031 1.26001
2s 1.09493 1.09398 1.09585
2p 1.06204 1.06105 1.06283
3s 1.02798 1.02729 1.02992
3p 1.01276 1.01272 1.01453
3d 0.98639 0.98662 0.98858
4s 0.97686 0.97774 0.98177
4p 0.97413 0.98345 0.97896
4d ... 0.96499 0.99410
4f ... ... 1.03288
5s ... 1.00779 1.02644
5p ... ... 0.96971
5d ... ... 0.99887

Se5+
Orbital Small Medium Large

1s 1.26114 1.25370 1.25921
2s 1.09560 1.09502 1.09944
2p 1.06089 1.05993 1.06193
3s 1.02749 1.02797 1.03420
3p 1.01136 1.01121 1.01392
3d 0.98493 0.98512 0.98800
4s 0.97805 0.97821 0.98381
4p 0.97409 0.97389 1.00989
4d ... 0.96765 1.00662
4f ... ... 1.01505
5s ... ... 1.01864
5p ... ... 1.01194
5d ... ... 0.99808

Se6+
Orbital Small Medium Large

1s 1.25708 1.25307 1.25533
2s 1.09531 1.09680 1.09484
2p 1.05923 1.05934 1.05967
3s 1.02647 1.02599 1.02605
3p 1.00974 1.00941 1.00948
3d 0.98305 0.98296 0.98285
4s 1.00424 1.00419 1.00427
4p 0.99619 0.99617 0.99622
4d 0.97412 0.97553 0.97555
5s ... ... 0.99360
5d ... ... 0.97139

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