Table A.6
Comparison between available experimental values of the first few excited energy levels in Au 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 | |||
| Au I | ||||||
| 5d106s | 1/2 | 0.00 | 0 | 0 | 0 | 0 |
| 5d96s2 | 5/2 | 9161.18 | 9488 | 9967 | 326 | 805 |
| 5d96s2 | 3/2 | 21435.19 | 22242 | 22719 | 807 | 1284 |
| 5d106p | 1/2 | 37358.99 | 32130 | 32467 | -5229 | -4892 |
| 5d106p | 3/2 | 41174.61 | 34841 | 35276 | -6334 | -5899 |
| 5d96s6p | 5/2 | 42163.53 | 36072 | 37130 | -6092 | -5034 |
| 5d96s6p | 5/2 | 43379.00 | 45077 | 45432 | 1698 | 2053 |
| 5d96s6p | 7/2 | 45537.20 | 39380 | 39954 | -6157 | -5583 |
| 5d96s6p | 5/2 | 46174.98 | 40336 | 40814 | -5839 | -5361 |
| 5d96s6p | 3/2 | 47007.43 | 40847 | 41472 | -6160 | -5535 |
| 5d96s6p | 7/2 | 51028.89 | 44354 | 44890 | -6675 | -6139 |
| ... | ... | ... | ... | ... | ... | ... |
| Au II | ||||||
| 5d10 | 0 | 0.00 | 0 | 0 | 0 | 0 |
| 5d96s | 3 | 15039.57 | 16334 | 16252 | 1294 | 1212 |
| 5d96s | 2 | 17640.62 | 19010 | 18712 | 1369 | 1071 |
| 5d96s | 1 | 27765.76 | 29323 | 29248 | 1557 | 1482 |
| 5d96s | 2 | 29621.25 | 31580 | 31316 | 1959 | 1695 |
| 5d86s2 | 4 | 40478.75 | 42390 | 43704 | 2811 | 3225 |
| 5d86s2 | 2 | 48510.89 | 52732 | 52427 | 4221 | 3916 |
| 5d86s2 | 3 | 52176.51 | 54457 | 55884 | 2280 | 3707 |
| 5d86s2 | 0 | 55436.60 | 57437 | 58663 | 2000 | 3226 |
| 5d86s2 | 2 | 58191.63 | 62443 | 62857 | 4251 | 4665 |
| 5d86s2 | 0 | 58550.23 | 64982 | 63680 | 6432 | 5130 |
| ... | ... | ... | ... | ... | ... | ... |
| Au III | ||||||
| 5d9 | 5/2 | 0.00 | 0 | 0 | 0 | 0 |
| 5d9 | 3/2 | 12693.98 | 13076 | 13143 | 382 | 449 |
| 5d86s | 9/2 | 29753.96 | 30728 | 31945 | 974 | 2191 |
| 5d86s | 7/2 | 35076.89 | 36250 | 36983 | 1173 | 1906 |
| 5d86s | 5/2 | 38822.40 | 41809 | 41629 | 2987 | 2807 |
| 5d86s | 3/2 | 40345.88 | 42940 | 42766 | 2594 | 2420 |
| 5d86s | 5/2 | 44425.95 | 46476 | 47075 | 2050 | 2649 |
| 5d86s | 7/2 | 45740.58 | 47690 | 48075 | 1949 | 2394 |
| 5d86s | 1/2 | 49439.00 | 54475 | 53201 | 5036 | 3762 |
| 5d86s | 3/2 | 49969.68 | 53499 | 53444 | 3529 | 3474 |
| 5d86s | 5/2 | 52059.60 | 55449 | 55078 | 3389 | 3018 |
| ... | ... | ... | ... | ... | ... | ... |
| Au IV | ||||||
| 5d8 | 4 | 0.00 | 0 | 0 | 0 | 0 |
| 5d8 | 2 | 6630.12 | 8405 | 7289 | 1775 | 659 |
| 5d8 | 3 | 12293.66 | 12628 | 12765 | 334 | 471 |
| 5d8 | 2 | 18100.97 | 19990 | 19319 | 1889 | 1218 |
| 5d8 | 0 | 18185.20 | 21805 | 19545 | 3620 | 1360 |
| 5d8 | 1 | 21489.95 | 24661 | 23268 | 3171 | 1778 |
| 5d8 | 4 | 25702.13 | 28960 | 26655 | 3258 | 953 |
| 5d8 | 2 | 30735.67 | 32797 | 31907 | 2061 | 1171 |
| 5d76s | 5 | 51296.97 | 54702 | 56049 | 3405 | 4752 |
| 5d8 | 0 | 55277.80 | 61411 | 55788 | 6133 | 510 |
| 5d76s | 3 | 68890.98 | 68075 | 68958 | -816 | 67 |
| ... | ... | ... | ... | ... | ... | ... |
Notes. a Experimental energy levels from Kramida et al. (2023) for Au I–II, from Zainab & Tauheed (2019) for Au III, and from Zainab et al. (2023) for Au IV.(b) This work.(c) ΔE = EHFR − EExp,
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