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Table 1
Comparison of theoretical energy levels (in eV) to the available NIST values for the Fe 3d64s2 configuration.
| i | Level | Term | NIST | PRHF | DFS |
|---|---|---|---|---|---|
| 0 |  |
5D | 0.000 | 0.000 | 0.000 |
| 1 |  |
5D | 0.052 | 0.052 | 0.060 |
| 2 |  |
5D | 0.087 | 0.089 | 0.102 |
| 3 |  |
5D | 0.110 | 0.113 | 0.129 |
| 4 |  |
5D | 0.121 | 0.125 | 0.142 |
| 5 |  |
3H | 2.404 | 2.687 | 2.381 |
| 6 |  |
3H | 2.433 | 2.715 | 2.413 |
| 7 |  |
3H | 2.453 | 2.736 | 2.436 |
| 8 |  |
3P | 2.279 | 2.943 | 2.599 |
| 9 |  |
3F | 2.559 | 3.082 | 2.733 |
| 10 |  |
3F | 2.588 | 3.110 | 2.768 |
| 11 |  |
3P | 2.424 | 3.097 | 2.781 |
| 12 |  |
3F | 2.609 | 3.132 | 2.793 |
| 13 |  |
3P | 2.484 | 3.163 | 2.854 |
| 14 |  |
3G | 2.949 | 3.402 | 3.030 |
| 15 |  |
3G | 2.990 | 3.450 | 3.087 |
| 16 |  |
3G | 3.018 | 3.473 | 3.112 |
| 17 |  |
1I | 3.634 | 4.049 | 3.595 |
| 18 |  |
1G | 3.695 | 4.272 | 3.801 |
| 19 |  |
3D | 3.635 | 4.411 | 3.942 |
| 20 |  |
3D | 3.640 | 4.414 | 3.944 |
| 21 |  |
3D | 3.642 | 4.429 | 3.964 |
| 22 |  |
1S | – | 4.974 | 4.432 |
| 23 |  |
1D | 4.294 | 5.334 | 4.759 |
| 24 |  |
1F | – | 6.177 | 5.512 |
| 25 |  |
3P | – | 7.295 | 6.492 |
| 26 |  |
3F | - | 7.297 | 6.509 |
| 27 |  |
3F | – | 7.306 | 6.528 |
| 28 |  |
3F | – | 7.303 | 6.530 |
| 29 |  |
3P | – | 7.345 | 6.553 |
| 30 |  |
3P | – | 7.446 | 6.675 |
| 31 |  |
1G | – | 8.250 | 7.361 |
| 32 |  |
1D | – | 11.163 | 9.978 |
| 33 |  |
1S | – | 14.427 | 12.884 |
Notes. Energies are given relative to the ground energy. DFS – current calculations, PRHF – data calculated using the pseudo relativistic approximation of Cowan (1981).
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