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Table 1:

Electron configuration basis for the benchmark calculation (23C) and orbital scaling parameters.
Configurations Scaling parameters
3s2 3p6 3d 3s2 3p5 3d2 1s 1.41654
3s2 3p6 4s 3s2 3p6 4p 2s 1.12528
3s2 3p6 4d 3s2 3p6 4f 2p 1.06749
3s2 3p6 $\overline{5}$s 3s2 3p6 $\overline{5}$p 3s 1.12766
3s2 3p6 $\overline{5}$d 3s2 3p5 3d 4s 3p 1.10218
3s2 3p5 3d 4p 3s2 3p5 3d 4d 3d 1.11400
3s2 3p4 3d3 3s2 3p3 3d4 4s 1.16978
  3s2 3p4 3d2 4p 4p 1.13576
  3s2 3p4 3d2 4f 4d 1.14783
  3s2 3p4 3d2 $\overline{5}$p 4f 1.65984
  3s2 3p6 $\overline{5}$f $\overline{5}$s -1.17688
  3s2 3p4 3d2 $\overline{5}$f $\overline{5}$p -1.09068
  3s2 3p3 3d3 4s $\overline{5}$d -0.91633
  3s2 3p3 3d3 4d $\overline{5}$f -0.64713
  3s2 3p3 3d3 $\overline{5}$s    
  3s2 3p3 3d3 $\overline{5}$d    

Source LaTeX | All tables | In the text

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