Open Access
Table 2
Asymptotic separated-atom energies of the triplet of O7+−H.
| Asymptotic atomic states | Molecular states | Energy (eV) | ||
|---|---|---|---|---|
| MRDCI | NIST | Error | ||
| O6+(1s2s) + H+ | 13Σ | 561.0573 | 560.9837 | 0.0736 |
| O6+(1s2p) + H+ | 23Σ, 13 Π | 568.5129 | 568.5721 | 0.0592 |
| O6+(1s3s) + H+ | 33Σ+ | 662.0119 | 661.9293 | 0.0826 |
| O6+(1s3p) + H+ | 43Σ+, 23Π | 664.0536 | 664.0185 | 0.0351 |
| O6+(1s3d) + H+ | 53Σ+, 33Π, | 665.1444 | 665.1025 | 0.0419 |
| 13∆ | ||||
| O6+(1s4s) + H+ | 63Σ+ | 696.3089 | 696.3374 | 0.0285 |
| O6+(1s4p) + H+ | 73Σ+, 43Π | 697.0945 | 697.1136 | 0.0191 |
| O6+(1s4d) + H+ | 83Σ+, 53Π, | 697.6381 | 697.5541 | 0.0840 |
| 23∆ | ||||
| O6+(1s4f) + H+ | 93Σ+, 63Π, | 697.6594 | 697.5611 | 0.0983 |
| 33∆, 13Φ | ||||
| O6+(1s5s) + H+ | 103Σ+ | 711.9433 | 711.9929 | 0.0496 |
| O6+(1s5p) + H+ | 113Σ+, 73Π | 712.3381 | 712.3438 | 0.0057 |
| O6+(1s5f) + H+ | 123Σ+, 83Π, | 712.5874 | 712.5620 | 0.0254 |
| 43∆, 23Φ | ||||
| O6+(1s5d) + H+ | 133Σ+, 93Π, | 712.6115 | 712.5967 | 0.0148 |
| 53∆ | ||||
| O6+(1s5g) + H+ | 143Σ+, 103Π, | 712.6714 | 712.6301* | 0.0413 |
| 63∆, 33Φ, | ||||
| 13Γ | ||||
| O6+(1s6s) + H+ | 153Σ+ | 720.3352 | 720.3938* | 0.0586 |
| O6+(1s6p) + H+ | 163Σ+, 113Π | 720.6315 | 720.5627 | 0.0688 |
| O6+(1s6f) + H+ | 173Σ+, 123Π, | 720.6401 | 720.7090 | 0.0689 |
| 73∆, 43Φ | ||||
| O6+(1s6d) + H+ | 183Σ+, 133Π, | 720.7239 | 720.7288 | 0.0049 |
| 83∆ | ||||
| O6+(1s6g) + H+ | 193Σ+, 143Π, | 720.7647 | 720.7788* | 0.0141 |
| 93∆, 53Φ, | ||||
| 23Γ | ||||
| O7+(1s)+H | 203Σ+ | 724.8254 | 724.9120 | 0.0866 |
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