EDP Sciences
Free Access

Table 1

Input data for the calculations.

Configuration term LA 2SA + 1 n l Elim Ej Neq Core Lc 2Sc + 1
[cm−1] [cm−1] [cm−1]
Covalent states
2p4.3P 1 3 2 1 0 109 759 0 4 0 4 − 0.577
2p4.3P 1 3 2 1 0 136 577 0 4 2 2 0.645
2p4.3P 1 3 2 1 0 150 228 0 4 1 2 − 0.500
2p4.1D 2 1 2 1 15 790 136 577 15 790 4 2 2 0.866
2p4.1D 2 1 2 1 15 790 150 228 15 790 4 1 2 − 0.500
2p4.1S 0 1 2 1 33 715 150 228 33 715 4 1 2 1.000
3s.5So 0 5 3 0 73 690 109 759 73 690 1 0 4 1.000
3s.3So 0 3 3 0 76 717 109 759 76 717 1 0 4 1.000
2p4.3P + H(n = 2) 1 3 2 1 0 109 759 82 259 4 0 4 − 0.577
2p4.3P + H(n = 2) 1 3 2 1 0 136 577 82 259 4 2 2 0.645
2p4.3P + H(n = 2) 1 3 2 1 0 150 228 82 259 4 1 2 − 0.500
3p.5P 1 5 3 1 86 551 109 759 86 551 1 0 4 1.000
3p.3P 1 3 3 1 88 553 109 759 88 553 1 0 4 1.000
4s.5So 0 5 4 0 95 399 109 759 95 399 1 0 4 1.000
4s.3So 0 3 4 0 96 147 109 759 96 147 1 0 4 1.000
3d.5Do 2 5 3 2 97 343 109 759 97 343 1 0 4 1.000
3d.3Do 2 3 3 2 97 411 109 759 97 411 1 0 4 1.000
4p.5P 1 5 4 1 99 016 109 759 99 016 1 0 4 1.000
4p.3P 1 3 4 1 99 603 109 759 99 603 1 0 4 1.000
3s.3Do 2 3 3 0 101 065 136 577 101 065 1 2 2 1.000
5s.5So 0 5 5 0 102 039 109 759 102 039 1 0 4 1.000
5s.3So 0 3 5 0 102 334 109 759 102 334 1 0 4 1.000
3s.1Do 2 1 3 0 102 584 136 577 102 584 1 2 2 1.000
Ionic states
0 4 109 759 103 676
2 2 136 577 130 494
1 2 150 228 144 145

Notes. The notation from the LCAO model in B16 is used, and detailed descriptions are given in that paper. In short, LA and SA are the electronic orbital angular momentum and spin quantum numbers for the state of the oxygen atom; n and l are the principal and angular momentum quantum numbers for the active electron. is the state energy for the oxygen atom, Elim the corresponding series limit, and Ej the total asymtotic molecular energy. The zero point in the case of energies on the oxygen atom, and Elim, is the O I ground term, and the zero point for the asymptotic molecular energies Ej is the energy corresponding to both atoms in their ground states. Neq is the number of equivalent active electrons. LC and SC are the electronic orbital angular momentum and spin quantum numbers for the core of the oxygen atom. is the coefficient of fractional parentage. For covalent configurations where oxygen is neutral and/or hydrogen is in the ground state, H(1s) is implied and omitted for clarity.

Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.

Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.

Initial download of the metrics may take a while.