Table 2
Comparisons of the level energies (Ryd) of 1s2 {2,3,4,5} l (l ∈ s,p,d,f and g), 1s2l2 and 1s2s2p configurations in O5+, Ar15+, Fe23+, and Kr33+ ions.
O5+ | Ar15+ | Fe23+ | Kr33+ | ||||||||||||
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ID | NIST | AS | ZFS90a | AK04b | NIST | AS | ZFS90a | MAK04c | NIST | AS | ZFS90a | NIST | AS | ZFS90a | |
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01 | 1s22s 2S1/2 | 0.000000 | 0.00000 | 0.0 | 0.00000 | 0.0000 | 0.00000 | 0.00000 | |||||||
02 | 1s22p 2P1/2 | 0.878234 | 0.885329 | 0.87823 | 0.88628 | 2.34219 | 2.34880 | 2.341892 | 2.3562 | 3.57201 | 3.57439 | 3.57134 | 5.23598 | 5.23290 | 5.23475 |
03 | 1s22p 2P3/2 | 0.883086 | 0.890058 | 0.88308 | 0.89103 | 2.57527 | 2.57944 | 2.574956 | 2.5991 | 4.74549 | 4.73129 | 4.74474 | 10.00839 | 9.89070 | 10.00750 |
04 | 1s23s 2S1/2 | 5.832472 | 5.826466 | 5.83200 | 5.82511 | 38.0548 | 38.05927 | 38.06429 | 38.0548 | 84.49724 | 84.51062 | 84.51543 | 169.48656 | 169.62291 | 169.63354 |
05 | 1s23p 2P1/2 | 6.070070 | 6.065717 | 6.07057 | 6.06464 | 38.6966 | 38.70796 | 38.71255 | 38.7021 | 85.46045 | 85.50093 | 85.50765 | 170.91725 | 171.06624 | 171.09615 |
06 | 1s23p 2P3/2 | 6.071497 | 6.067110 | 6.07219 | 6.06604 | 38.7658 | 38.77551 | 38.78531 | 38.7758 | 85.81493 | 85.83660 | 85.86779 | 172.32971 | 172.39343 | 172.54406 |
07 | 1s23d 2D3/2 | 6.147642 | 6.140864 | 6.15083 | 6.13912 | 39.0129 | 39.02340 | 39.03374 | 39.0180 | 86.19675 | 86.23172 | 86.24998 | 172.87647 | 172.98296 | 173.10265 |
08 | 1s23d 2D5/2 | 6.148107 | 6.141287 | 6.15127 | 6.13954 | 39.0347 | 39.04492 | 39.05505 | 39.0397 | 86.32068 | 86.34104 | 86.36023 | 173.32299 | 173.42539 | 173.55099 |
09 | 1s24s 2S1/2 | 7.770338 | 7.763129 | 7.76875 | 7.76151 | 51.0833 | 51.08958 | 51.09489 | 51.0833 | 113.58397 | 113.60725 | 113.61331 | 227.97168 | 228.13298 | 228.17475 |
10 | 1s24p 2P1/2 | 7.867276 | 7.860599 | 7.86576 | 7.85910 | 51.3477 | 51.35636 | 51.36169 | 51.3502 | 113.98948 | 114.01475 | 114.02490 | 228.56400 | 228.72479 | 228.77743 |
11 | 1s24p 2P3/2 | 7.867859 | 7.861184 | 7.86650 | 7.85969 | 51.3766 | 51.38454 | 51.39182 | 51.3809 | 114.13529 | 114.15331 | 114.17190 | 229.15633 | 229.26209 | 229.38747 |
12 | 1s24d 2D3/2 | 7.899593 | 7.892053 | 7.90104 | 7.89029 | 51.4777 | 51.48743 | 51.49693 | 51.4820 | 114.26560 | 114.31700 | 114.33359 | 229.39325 | 229.50560 | 229.62266 |
13 | 1s24d 2D5/2 | 7.899788 | 7.892230 | 7.90104 | 7.89046 | 51.487 | 51.49647 | 51.50574 | 51.4911 | 114.32027 | 114.36279 | 114.38504 | 229.58462 | 229.68968 | 229.80641 |
14 | 1s24f 2F5/2 | 7.901393 | 7.893360 | 7.90986 | 7.89157 | 51.50171 | 51.51750 | 51.4962 | 114.34214 | 114.37170 | 114.39974 | 229.70323 | 229.82846 | ||
15 | 1s24f 2F7/2 | 7.901478 | 7.893450 | 7.90986 | 7.89166 | 51.50626 | 51.52265 | 51.5008 | 114.37860 | 114.39475 | 114.42179 | 229.79623 | 229.91665 | ||
16 | 1s25s 2S1/2 | 8.645099 | 8.637644 | 8.64272 | 8.63594 | 57.041 | 57.05568 | 57.06005 | 57.0496 | 126.89804 | 126.96011 | 126.96791 | 254.82672 | 254.99054 | 255.04564 |
17 | 1s25p 2P1/2 | 8.694217 | 8.686654 | 8.69123 | 8.68501 | 57.180 | 57.19053 | 57.19529 | 57.1847 | 127.06161 | 127.16606 | 127.17371 | 255.12744 | 255.28873 | 255.35433 |
18 | 1s25p 2P3/2 | 8.694217 | 8.686952 | 8.69123 | 8.68531 | 57.195 | 57.20475 | 57.21072 | 57.2002 | 127.13633 | 127.23498 | 127.25455 | 255.56484 | 255.54925 | 255.66303 |
19 | 1s25d 2D3/2 | 8.710355 | 8.702686 | 8.70887 | 8.70091 | 57.247 | 57.25702 | 57.26437 | 57.2515 | 127.21744 | 127.31804 | 127.33540 | 255.65597 | 255.67253 | 255.78062 |
20 | 1s25d 2D5/2 | 8.710437 | 8.702777 | 8.70887 | 8.70100 | 57.251 | 57.26162 | 57.26878 | 57.2562 | 127.26118 | 127.34119 | 127.35745 | 255.76451 | 255.87617 | |
21 | 1s25f 2F5/2 | 8.711531 | 8.703418 | 8.71328 | 8.70163 | 57.26457 | 57.27467 | 57.2591 | 127.34619 | 127.36480 | 255.77203 | 255.89087 | |||
22 | 1s25f 2F7/2 | 8.711531 | 8.703464 | 8.71328 | 8.70169 | 57.26689 | 57.27687 | 57.2614 | 127.35792 | 127.37950 | 255.81911 | 255.93497 | |||
23 | 1s25g 2G7/2 | 8.711622 | 8.703473 | 8.71769 | 8.70168 | 57.26695 | 57.28128 | 57.2615 | 127.35800 | 127.37950 | 255.81914 | 255.94232 | |||
24 | 1s25g 2G9/2 | 8.711622 | 8.703501 | 8.71769 | 8.70171 | 57.26834 | 57.28275 | 57.2629 | 127.36507 | 127.38685 | 255.84760 | 255.97172 | |||
25 | 1s2s2 2S1/2 | 40.585777 | 226.30 | 226.6709 | 485.12030 | 486.08392 | 950.487984 | 952.72430 | |||||||
26 | 1s2s2p 4P1/2 | 40.736371 | 40.855106 | 226.90 | 227.2355 | 486.09718 | 486.87277 | 951.964237 | 953.70746 | ||||||
27 | 1s2s2p 4P3/2 | 40.857635 | 226.96 | 227.3231 | 486.31589 | 487.23162 | 952.693251 | 954.68439 | |||||||
28 | 1s2s2p 4P5/2 | 40.861885 | 227.12 | 227.4864 | 488.07919 | 958.51599 | |||||||||
29 | 1s2s2p 2P1/2 | 41.715072 | 41.492359 | 229.1038 | 489.02144 | 489.84686 | 956.329206 | 958.26788 | |||||||
30 | 1s2s2p 2P3/2 | 41.495632 | 229.2342 | 489.64383 | 490.58551 | 959.618880 | 961.74469 | ||||||||
31 | 1s2p2 4P1/2 | 41.831535 | 229.45 | 229.7814 | 490.30724 | 491.08856 | 958.880754 | 960.47711 | |||||||
32 | 1s2s2p 2P1/2 | 41.912865 | 229.61 | 230.0148 | 490.70911 | 491.60388 | 961.213598 | 963.19415 | |||||||
33 | 1s2p2 4P3/2 | 41.834080 | 229.55 | 229.8833 | 490.91779 | 491.68264 | 962.133977 | 963.71863 | |||||||
34 | 1s2s2p 2P3/2 | 41.914692 | 229.67 | 230.0757 | 490.90867 | 491.82028 | 961.796809 | 963.83093 | |||||||
35 | 1s2p2 4P5/2 | 41.838272 | 229.67 | 230.0271 | 491.33697 | 492.22747 | 962.972343 | 964.90558 | |||||||
36 | 1s2p2 2D3/2 | 42.077756 | 42.250854 | 230.72 | 231.1017 | 492.63826 | 493.55090 | 964.612624 | 966.36713 | ||||||
37 | 1s2p2 2P1/2 | 42.338909 | 231.3519 | 492.77677 | 493.70593 | 964.211666 | 966.11713 | ||||||||
38 | 1s2p2 2D5/2 | 42.251091 | 230.73 | 231.1496 | 493.10392 | 494.06726 | 967.756495 | 969.76538 | |||||||
39 | 1s2p2 2P3/2 | 42.344051 | 231.5829 | 494.08444 | 495.01052 | 969.524353 | 971.48383 | ||||||||
40 | 1s2p2 2S1/2 | 42.719288 | 42.946438 | 232.8003 | 495.48870 | 496.47699 | 971.082620 | 973.03540 |
Notes. AS denotes the present autostructure calculation. NIST refers to experimentally derived data in NIST compilation v32.
Refers to the work of Zhang et al. (1990) using the Dirac-Fock-Slater method.
Refers to the work of Aggarwal & Keenan (2004a) using grasp.
Refers to the work of McKeown et al. (2004b) using grasp.
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