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Table 1.
Asymptotic separated-atom energies for the states of [OH]6+.
| Asymptotic | Molecular states | Energy (eV) | ||
|---|---|---|---|---|
| atomic states | MRDCI | NIST | Error | |
| O5+(2s) + H+ | 12Σ+ | 0 | 0 | 0 |
| O5+(2p) + H+ | 22Σ+ | 11.93217 | 11.94898 | 0.01681 |
| 12Π | 11.93223 | 11.94898 | 0.01675 | |
| O5+(3s) + H+ | 32Σ+ | 79.28453 | 79.35482 | 0.07029 |
| O5+(3p) + H+ | 42Σ+ | 82.50672 | 82.58751 | 0.08079 |
| 22Π | 82.50675 | 82.58751 | 0.08076 | |
| O5+(3d) + H+ | 52Σ+ | 83.56624 | 83.64293 | 0.07669 |
| 12Δ | 83.56644 | 83.64293 | 0.07649 | |
| 32Π | 83.56659 | 83.64293 | 0.07634 | |
| O5+(4s) + H+ | 62Σ+ | 105.63119 | 105.7208 | 0.08961 |
| O5+(4p) + H+ | 72Σ+ | 106.94715 | 107.0397 | 0.09255 |
| 42Π | 106.94718 | 107.0397 | 0.09252 | |
| O5+(4d) + H+ | 82Σ+ | 107.38352 | 107.4794 | 0.09588 |
| 22Δ | 107.38325 | 107.4794 | 0.09615 | |
| 52Π | 107.38346 | 107.4794 | 0.09594 | |
| O5+(4f) + H+ | 92Σ+ | 107.39889 | 107.5039 | 0.10501 |
| 32Δ | 107.39891 | 107.5039 | 0.10499 | |
| 62Π | 107.39894 | 107.5039 | 0.10496 | |
| 12Φ | 107.39897 | 107.5039 | 0.10493 | |
| O5+(5s) + H+ | 102Σ+ | 117.59165 | 117.6226 | 0.03095 |
| O5+(5p) + H+ | 112Σ+ | 118.21883 | 118.2908 | 0.07197 |
| 72Π | 118.21884 | 118.2908 | 0.07196 | |
| O5+(5d) + H+ | 122Σ+ | 118.41037 | 118.5104 | 0.10003 |
| 42Δ | 118.41073 | 118.5104 | 0.09967 | |
| 82Π | 118.41049 | 118.5104 | 0.09991 | |
| O5+(5f) + H+ | 132Σ+ | 118.44685 | 118.5264 | 0.07955 |
| 52Δ | 118.44688 | 118.5264 | 0.07952 | |
| 92Π | 118.44693 | 118.5264 | 0.07947 | |
| 22Φ | 118.44694 | 118.5264 | 0.07946 | |
| O5+(5g) + H+ | 142Σ+ | 118.49553 | 118.5276 | 0.03207 |
| 62Δ | 118.49553 | 118.5276 | 0.03207 | |
| 12Γ | 118.49553 | 118.5276 | 0.03207 | |
| 102Π | 118.49554 | 118.5276 | 0.03206 | |
| 32Φ | 118.49553 | 118.5276 | 0.03207 | |
| O5+(6s) + H+ | 152Σ+ | 123.98352 | 123.994 | 0.01048 |
| O6+ + H(1s) | 162Σ+ | 124.12848 | 124.23371 | 0.10523 |
| O5+(6p) + H+ | 172Σ+ | 124.32275 | 124.372 | 0.04925 |
| 112Π | 124.32277 | 124.372 | 0.04923 | |
| O5+(6d) + H+ | 182Σ+ | 124.44634 | 124.5012 | 0.05486 |
| 72Δ | 124.44678 | 124.5012 | 0.05442 | |
| 122Π | 124.44642 | 124.5012 | 0.05478 | |
| O5+(6f) + H+ | 192Σ+ | 124.50595 | 124.513 | 0.00705 |
| 82Δ | 124.50598 | 124.513 | 0.00702 | |
| 132Π | 124.50608 | 124.513 | 0.00692 | |
| 42Φ | 124.5061 | 124.513 | 0.0069 | |
| O5+(6g) + H+ | 202Σ+ | 124.50988 | 124.5144 | 0.00452 |
| 92Δ | 124.50992 | 124.5144 | 0.00448 | |
| 22Γ | 124.50994 | 124.5144 | 0.00446 | |
| 142Π | 124.50991 | 124.5144 | 0.00449 | |
| 52Φ | 124.50992 | 124.5144 | 0.00448 | |
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