Table 2
Number of levels, ground states, and ionization energies (in eV) for the nineteen ions of scandium according to NIST and our calculations (FAC).
| Number of levels | Ground state | Ionization energy (eV) | |||||||
| Ion | NIST | FAC | Conf | Level | NIST | FAC | Diff | Rodrigues | Diff |
|
|
|||||||||
| Sc xxi | 25 | 100 | 1s | 2S1/2 | 6033.755 | 6033.82 | 0.06 | ||
| Sc xx | 25 | 199 | 1s2 | 1S0 | 5675. | 5673.45 | –1.55 | ||
| Sc xix | 27 | 99 | 2s | 2S1/2 | 1288.0 | 1287.61 | –0.39 | ||
| Sc xviii | 16 | 676 | 2s2 | 1S0 | 1212.6 | 1212.90 | 0.30 | 1206.9 | –5.70 |
| Sc xvii | 28 | 1332 | 2s22p |
|
1094. | 1092.73 | –1.27 | 1094.8 | 0.80 |
| Sc xvi | 34 | 2298 | 2s22p2 | 3P0 | 1009. | 1008.91 | –0.09 | 1010.0 | 1.00 |
| Sc xv | 27 | 2577 | 2s22p3 |
|
927.5 | 925.69 | –1.81 | 926.3 | –1.20 |
| Sc xiv | 35 | 2286 | 2s22p4 | 3P2 | 830.8 | 831.67 | 0.87 | 830.7 | –0.10 |
| Sc xiii | 29 | 1476 | 2s22p5 |
|
756.7 | 755.97 | –0.73 | 755.8 | –0.90 |
| Sc xii | 55 | 569 | 2s22p6 | 1S0 | 687.4 | 684.14 | –3.22 | 684.5 | –2.86 |
| Sc xi | 39 | 96 | 3s | 2S1/2 | 249.80 | 249.41 | –0.39 | 249.2 | –0.60 |
| Sc x | 67 | 523 | 3s2 | 1S0 | 225.18 | 224.89 | –0.29 | 222.9 | –2.28 |
| Sc ix | 26 | 915 | 3s23p |
|
180.0 | 180.31 | 0.31 | 179.6 | –0.40 |
| Sc viii | 26 | 2001 | 3s23p2 | 3P0 | 158.1 | 157.80 | –0.30 | 157.4 | –0.70 |
| Sc vii | 34 | 2661 | 3s23p3 |
|
138.0 | 136.33 | –1.67 | 135.8 | –2.20 |
| Sc vi | 39 | 1889 | 3s23p4 | 3P2 | 110.7 | 110.07 | –0.63 | 109.3 | –1.40 |
| Sc v | 118 | 1436 | 3s23p5 |
|
91.7 | 91.42 | –0.27 | 90.3 | –1.39 |
| Sc iv | 127 | 616 | 3s23p6 | 1S0 | 73.4894 | 74.76 | 1.27 | 72.3 | –1.19 |
| Sc iii | 43 | 93 | 3p63d | 2D3/2 | 24.75684 | 23.38 | –1.37 | 23.8 | –0.96 |
| total | 820 | 21 842 | . | ||||||
Notes. Ionization energies derived from Rodrigues et al. (2004) are also given. Columns “diff” give the differences between our calculations or Rodrigues’ ones and NIST values.
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