Open Access
Table 1
Comparison of theoretical (DFS) and NIST (Kramida et al. 2022) energy levels (in eV) for the ground configuration of the Fe2+ ion.
| Index | jj-coupling | Term | J | Leading percentage | ENIST | EDFS |
|---|---|---|---|---|---|---|
| 0 |  |
5D | 4 | 100 | 0.000 | 0.000 |
| 1 |  |
5D | 3 | 100 | 0.054 | 0.062 |
| 2 |  |
5D | 2 | 100 | 0.092 | 0.104 |
| 3 |  |
5D | 1 | 100 | 0.116 | 0.132 |
| 4 |  |
5D | 0 | 100 | 0.127 | 0.145 |
| 5 |  |
a3P | 2 | 61 + 39 b3P2 | 2.406 | 2.911 |
| 6 |  |
a3P | 1 | 62 + 38 b3P1 | 2.565 | 2.896 |
| 7 |  |
a3P | 0 | 62 + 38 b3P0 | 2.629 | 2.969 |
| 8 |  |
3H | 6 | 100 | 2.486 | 2.481 |
| 9 |  |
3H | 5 | 99 | 2.517 | 2.515 |
| 10 |  |
3H | 4 | 97 | 2.539 | 2.539 |
| 11 |  |
a3F | 4 | 75 + 21 b3F4 | 2.661 | 2.849 |
| 12 |  |
a3F | 3 | 77 + 21 b3F3 | 2.690 | 2.885 |
| 13 |  |
a3F | 2 | 80 + 20 b3F2 | 2.710 | 2.713 |
| 14 |  |
3G | 5 | 99 | 3.045 | 3.156 |
| 15 |  |
3G | 4 | 96 | 3.092 | 3.214 |
| 16 |  |
3G | 3 | 98 | 3.117 | 3.240 |
| 17 |  |
1I | 6 | 100 | 3.764 | 3.746 |
| 18 |  |
3D | 2 | 99 | 3.808 | 4.106 |
| 19 |  |
3D | 1 | 100 | 3.809 | 4.105 |
| 20 |  |
3D | 3 | 100 | 3.826 | 4.126 |
| 21 |  |
a1G | 4 | 65 + 34 b1G4 | 3.829 | 3.961 |
| 22 |  |
a1S | 0 | 76 + 23 b1S0 | 4.316 | 4.618 |
| 23 |  |
a1D | 2 | 77 + 22 b1D2 | 4.439 | 4.957 |
| 24 |  |
1F | 3 | 99 | 5.318 | 5.740 |
| 25 |  |
b3P | 0 | 62 + 38 a3P0 | 6.094 | 6.764 |
| 26 |  |
b3P | 1 | 62 + 38 a3P1 | 6.147 | 6.825 |
| 27 |  |
b3P | 2 | 61 + 39 a3P2 | 6.250 | 6.779 |
| 28 |  |
b3F | 2 | 80 + 20 a3F2 | 6.222 | 6.946 |
| 29 |  |
b3F | 4 | 78 + 22 a3F4 | 6.233 | 6.797 |
| 30 |  |
b3F | 3 | 79 + 21 a3F3 | 6.236 | 6.797 |
| 31 |  |
b1G | 4 | 65 + 35a1G4 | 7.095 | 7.665 |
| 32 |  |
b1D | 2 | 78 + 22 a1D2 | 9.552 | 10.386 |
| 33 |  |
0 | 13.414 |
Notes. The leading percentages are from NIST (Kramida et al. 2022). Level identification from the DFS calculation is presented in jj coupling.
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