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Table 1.

Reference configurations used to build up the MCDF active space (AS) listing the total number of configuration state functions (CSFs), NCSF, generated for the MCDF expansions in Fe II–Fe VIII.

Ion Reference configurations (a) NCSF
Fe II 3d64s, [3p]3d74s, [3p]3d64s2, 12268
[2p]3d74s, [2p]3d64s2,
[1s]3d74s, [1s]3d64s2
Fe III 3d6, [3p]3d7, [3p]3d64s, [3p]3d54s2, 31501
[2p]3d7, [2p]3d64s, [2p]3d54s2,
[1s]3d7, [1s]3d64s, [1s]3d54s2
Fe IV 3d5, [3p]3d6, [2p]3d6, [1s]3d6 57189
Fe V 3d4, [3p]3d5, [2p]3d5, [1s]3d5 81237
Fe VI 3d3, [3p]3d4, [2p]3d4, [1s]3d4 85798
Fe VII 3d2, [3p]3d3, [2p]3d3, [1s]3d3 71135
Fe VIII 3d, [3p]3d2, [2p]3d2, [1s]3d2 43271

Notes.

(a)

[n] means a hole in the n subshell.

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