Open Access

Table 1

Summary of the computational schemes for O I.

Parity MR in MCDHF MR in RCI AS NCSFs
even 2s22p3np (n = 2−6), 2s22p3nf (n = 4, 5) 2s22p3np (n = 2−8), 2s22p3nf (n = 4, 5), 2s2p4ns (n = 3−7), 2s2p4nd (n = 3−6) {12s, 12p, 11d, 11f, 9g, 7h} 12 641 532

odd 2s22p3ns (n = 3−6), 2s22p3nd (n = 3−5) 2s22p3ns (n = 3−7), 2s22p3 nd (n = 3−5) {12s, 12p, 11d, 11f, 9g, 7h} 7 683 274

Notes. MR and AS, respectively, denote the multireference and the active sets of orbitals used in the calculations. NCSFs are the numbers of generated CSFs in the final RCI calculations.

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