Table A.4
Comparison between available experimental values of the first few excited energy levels in Hf I–IV and the HFR results obtained without scaling down the Slater integrals (SF = 1.00) and with a scaling factor of 0.85 (SF = 0.85).
| Configuration | J | EExp (cm−1)a | EHFR (cm−1)b | ΔE (cm−1)c | ||
|---|---|---|---|---|---|---|
| SF = 1.00 | SF = 0.85 | SF = 1.00 | SF = 0.85 | |||
| Hf I | ||||||
| 5d26s2 | 2 | 0.00 | 0 | 0 | 0 | 0 |
| 5d26s2 | 3 | 2356.68 | 2664 | 2723 | 307 | 366 |
| 5d26s2 | 4 | 4567.64 | 5225 | 5241 | 657 | 673 |
| 5d26s2 | 0 | 5521.78 | 6011 | 5642 | 489 | 120 |
| 5d26s2 | 2 | 5638.62 | 6750 | 6390 | 1111 | 751 |
| 5d26s2 | 1 | 6572.55 | 7096 | 6827 | 523 | 254 |
| 5d26s2 | 2 | 8983.77 | 10672 | 10291 | 1688 | 1307 |
| 5d6s26p | 2 | 10508.90 | 12618 | 13047 | 2109 | 2538 |
| 5d26s2 | 4 | 10532.57 | 12911 | 11820 | 2378 | 1287 |
| 5d6s26p | 1 | 14017.83 | 12706 | 12761 | -1312 | -1256 |
| 5d36s | 1 | 14092.29 | 13764 | 14005 | -328 | -87 |
| ... | ... | ... | ... | ... | ... | ... |
| Hf II | ||||||
| 5d6s2 | 3/2 | 0.00 | 0 | 0 | 0 | 0 |
| 5d6s2 | 5/2 | 3050.88 | 2960 | 2817 | -91 | -234 |
| 5d26s | 3/2 | 3644.65 | 2962 | 2676 | -683 | -969 |
| 5d26s | 5/2 | 4904.85 | 4780 | 4661 | -125 | -244 |
| 5d26s | 7/2 | 6344.34 | 5896 | 5630 | -448 | -714 |
| 5d26s | 9/2 | 8361.76 | 8257 | 7972 | -105 | -390 |
| 5d26s | 1/2 | 11951.70 | 12960 | 11384 | 1008 | -568 |
| 5d26s | 5/2 | 12070.46 | 12266 | 11166 | 196 | -904 |
| 5d26s | 3/2 | 12920.94 | 14117 | 12580 | 1196 | -341 |
| 5d26s | 5/2 | 13485.56 | 14877 | 13312 | 1391 | -174 |
| 5d26s | 3/2 | 14359.42 | 14942 | 13842 | 583 | -877 |
| ... | ... | ... | ... | ... | ... | ... |
| Hf III | ||||||
| 5d2 | 2 | 0.00 | 0 | 0 | 0 | 0 |
| 5d6s | 1 | 2721.20 | 5109 | 4564 | 2388 | 1843 |
| 5d6S | 2 | 3039.70 | 4612 | 4619 | 1872 | 1579 |
| 5d2 | 3 | 3288.70 | 3637 | 3683 | 348 | 394 |
| 5d2 | 2 | 5716.00 | 7789 | 7354 | 2073 | 1638 |
| 5d2 | 3 | 6095.10 | 6827 | 6809 | 732 | 714 |
| 5d6s | 3 | 6881.60 | 9902 | 9358 | 3020 | 2476 |
| 5d2 | 0 | 8856.60 | 10502 | 9281 | 1645 | 424 |
| 5d2 | 1 | 11046.00 | 12730 | 11466 | 1684 | 420 |
| 6s2 | 0 | 11508.80 | 14877 | 15065 | 3368 | 3556 |
| 5d2 | 2 | 12493.20 | 14603 | 13364 | 2110 | 871 |
| ... | ... | ... | ... | ... | ... | ... |
| Hf IV | ||||||
| 4f145d | 3/2 | 0.00 | 0 | 0 | 0 | 0 |
| 4f145d | 5/2 | 4692.00 | 5217 | 5217 | 525 | 525 |
| 4f146s | 1/2 | 13380.10 | 20198 | 20499 | 6818 | 7119 |
| 4f146p | 1/2 | 67039.00 | 68382 | 68570 | 1343 | 1531 |
| 4f146p | 3/2 | 76614.20 | 76580 | 76782 | -34 | 168 |
| 4f147s | 1/2 | 140226.20 | 140965 | 140949 | 739 | 723 |
| 4f146d | 3/2 | 140709.30 | 140709 | 140736 | 0 | 27 |
| 4f146d | 5/2 | 142024.10 | 141903 | 141927 | -121 | -97 |
| 4f135d2 | 5/2 | 145856.00 | 142047 | 142316 | -3809 | -3540 |
| 4f135d2 | 5/2 | 148479.00 | 143976 | 144877 | -4503 | -3602 |
| 4f135d2 | 5/2 | 150636.00 | 146135 | 145726 | -4501 | -4910 |
| ... | ... | ... | ... | ... | ... | ... |
Notes. a Experimental energy levels from Kramida et al. (2023) for Hf I–III and from Sugar et al. (1974) for Hf IV (b) This work(c) ΔE = EHFR − EExp
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