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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+


ID NIST AS ZFS90a AK04b NIST AS ZFS90a MAK04c NIST AS ZFS90a NIST AS ZFS90a

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.

(a)

Refers to the work of Zhang et al. (1990) using the Dirac-Fock-Slater method.

(b)

Refers to the work of Aggarwal & Keenan (2004a) using grasp.

(c)

Refers to the work of McKeown et al. (2004b) using grasp.

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