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Table A.8
Level energies and TEC as used in the final AUTOSTRUCTURE calculation for Ni III.
| Configuration | Term | J | Energy (cm-1) | Energy (cm-1) | TEC (cm-1) |
| expa | AUTOS this work | ||||
|
|
|||||
| 3d8 | 3F | 4 | 0.00 | 0.00 | |
| 3 | 1360.70 | 1472.24 | |||
| 2 | 2269.60 | 2468.98 | |||
| 3d8 | 1D | 2 | 14 031.60 | 16 842.26 | –3666 |
| 3d8 | 3P | 2 | 16 661.60 | 20 528.23 | –5035 |
| 1 | 16 977.80 | 21 006.68 | |||
| 0 | 17 230.70 | 21 293.86 | |||
| 3d8 | 1G | 4 | 23 108.70 | 27 445.30 | –5340 |
| 3d8 | 1S | 0 | 52 532.00 | 65 278.00 | –13 764 |
| 3d7(4F)4s | 5F | 5 | 53 703.93 | 53 005.75 | –296 |
| 4 | 54 657.83 | 53 960.13 | |||
| 3 | 55 406.29 | 54 711.95 | |||
| 2 | 55 952.21 | 55 263.92 | |||
| 1 | 56 308.24 | 55 625.51 | |||
| 3d7(4F)4s | 3F | 4 | 61 338.58 | 61 734.69 | –1404 |
| 3 | 62 605.58 | 63 016.75 | |||
| 2 | 63 471.93 | 63 906.28 | |||
| 3d7(4P)4s | 5P | 3 | 71 067.35 | 74 699.72 | –4635 |
| 2 | 71 384.10 | 75 018.39 | |||
| 1 | 71 842.42 | 75 482.14 | |||
| 3d7(2G)4s | 3G | 5 | 75 123.65 | 77 321.56 | –3178 |
| 4 | 75 646.61 | 77 843.80 | |||
| 3 | 76 237.25 | 78 411.25 | |||
| 3d7(4P)4s | 3P | 2 | 78 303.54 | 82 010.96 | –4545 |
| 1 | 78 482.43 | 82 367.83 | |||
| 0 | 78 657.55 | 82 466.04 | |||
| 3d7(2P)4s | 3P | 2 | 79 143.01 | 83 532.03 | –5487 |
| 1 | 79 749.22 | 83 850.82 | |||
| 0 | 80 621.10 | 84 804.55 | |||
| 3d7(2G)4s | 1G | 4 | 79 250.11 | 82 004.38 | –3749 |
| 3d7(2H)4s | 3H | 6 | 81 686.80 | 84 968.06 | –4274 |
| 5 | 82 193.80 | 85 463.96 | |||
| 4 | 82 826.40 | 86 063.23 | |||
| 3d7(2D)4s | 3D | 3 | 82 172.60 | 86 627.94 | –5479 |
| 1 | 82 277.26 | 88 786.80 | |||
| 2 | 83 033.45 | 87 434.51 | |||
| 3d7(2P)4s | 1P | 1 | 84 604.10 | 86 420.10 | –4696 |
| 3d7(2H)4s | 1H | 5 | 85 834.20 | 89 665.91 | –4850 |
| 3d7(2D)4s | 1D | 2 | 86 645.88 | 91 555.04 | –5963 |
| 3d7(2F)4s | 3F | 2 | 97 841.60 | 10 5278.78 | –8437 |
| 3 | 97 995.81 | 10 5430.55 | |||
| 4 | 98 237.93 | 10 5657.60 | |||
| 3d7(2F)4s | 1F | 3 | 10 1954.90 | 10 9886.32 | –8942 |
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