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Table 3

autostructure configuration expansions for Fe.

Configuration expansion

3p63d64s2, 3p63d74s, 3p63d64s4p, 3p63d74p,
, 3p63d8, , , ,
, , , , ,
, , 3p53d84s, 3p43d94s,
3p53d64s24p, 3p53d74s4p

λ1s = 1.00000, λ2s = 1.27624, λ2p = 1.11469, λ3s = 1.09863,
λ3p = 1.06005, λ3d = 1.05835, λ4s = 0.99576, λ4p = 0.98521,

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