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. 2020 Nov 2;59(22):16251–16264. doi: 10.1021/acs.inorgchem.0c02032

Table 6. Energies of Calculated Lowest 50 States of the Ground-State Configuration.

  Energy of Calculated Lowest 50 States (eV)
  U(IV) Np(IV) Pu(IV) Am(IV) Cm(IV) Bk(IV) Cf(IV)
1 0 0 0 0 0 0 0
2 0.000437 0.000116 0.140209 0.000005 0.540210 0.002403 0.000690
3 0.000874 0.000869 0.140427 0.043055 0.540711 0.003639 0.006637
4 0.162052 0.000976 0.140628 0.043840 0.541201 0.003895 0.007403
5 0.162059 0.050629 0.281582 0.044352 0.941752 0.004333 0.007659
6 0.186396 0.050801 0.282453 0.045177 0.942714 0.006920 0.029101
7 0.186404 0.051268 0.283337 0.573034 0.943685 0.009664 0.068869
8 0.186433 0.051448 0.337378 0.573518 1.110897 0.012176 0.069718
9 0.201998 0.216236 0.337380 0.585869 1.110900 2.143442 0.070097
10 0.712436 0.217063 0.817785 0.586352 1.377968 2.144058 0.079095
11 0.712689 0.785632 0.817819 0.657296 1.378088 2.165868 0.079509
12 0.712947 0.785647 0.817851 0.657737 1.378172 2.166272 0.079816
13 0.764943 0.785703 0.894213 0.657968 1.414808 2.166475 0.086039
14 0.764946 0.785717 0.894234 0.658410 1.415237 2.166903 0.563345
15 0.866262 0.793086 0.909607 1.022706 1.415767 2.359622 0.564439
16 0.866292 0.793286 0.909755 1.022806 1.465954 2.360696 0.565559
17 0.866323 0.805680 0.909862 1.029538 1.539842 2.778381 0.610518
18 0.932381 0.806050 0.959631 1.030273 1.685109 2.779099 0.610559
19 0.932381 0.937444 0.960114 1.030450 1.685745 2.779881 0.676096
20 0.981504 0.937488 0.960596 1.031202 1.686419 2.780584 0.676307
21 0.981528 0.937515 1.319922 1.090889 1.757103 2.836505 0.676468
22 0.981551 0.937559 1.355774 1.091158 1.757141 2.837790 0.791793
23 1.088487 1.367596 1.355909 1.091520 1.800204 2.918306 0.813146
24 1.088545 1.367696 1.356042 1.091792 1.801407 2.918612 0.813789
25 1.088604 1.367889 1.387479 1.161742 1.802600 2.935070 0.815038
26 1.282620 1.367991 1.387608 1.161861 1.862377 2.935195 0.823320
27 1.282766 1.411611 1.387725 1.188532 1.863499 2.935286 0.823629
28 1.282919 1.411710 1.402413 1.188922 1.864563 2.935415 0.913698
29 1.333085 1.421815 1.402422 1.189253 1.907768 3.021161 0.914963
30 1.373473 1.422187 1.402462 1.189654 1.909179 3.021440 0.915984
31 1.373662 1.459308 1.422079 1.219939 1.910628 3.049033 0.925494
32 1.373854 1.459380 1.497653 1.220114 1.975964 3.049202 0.926425
33 1.377929 1.459639 1.497654 1.221170 2.017553 3.077609 0.927584
34 1.378031 1.459709 1.702734 1.221357 2.018235 3.077715 1.190593
35 1.378148 1.573486 1.702737 1.342689 2.022628 3.077739 1.191101
36 1.389335 1.573876 1.702741 1.343907 2.023032 3.077851 1.192890
37 1.389337 1.602028 1.730997 1.495170 2.023501 3.146640 1.194162
38 1.442094 1.602353 1.730999 1.495303 2.059061 3.147621 1.194576
39 1.563278 1.602451 1.733273 1.498921 2.086984 3.147907 1.209760
40 1.563475 1.602786 1.765206 1.499036 2.088230 3.148882 1.276036
41 1.563672 1.696178 1.765749 1.499445 2.089167 3.221727 1.276489
42 1.618824 1.696210 1.766284 1.499537 2.089634 3.221791 1.276865
43 1.619216 1.696340 1.808581 1.526819 2.090567 3.222110 1.430133
44 1.619610 1.696374 1.808999 1.527237 2.090696 3.222187 1.431244
45 1.654628 1.701717 1.809266 1.527761 2.091425 3.324495 1.432351
46 1.695464 1.701739 1.810614 1.528133 2.108428 3.325577 1.619385
47 1.695482 1.726803 1.810623 1.548001 2.108584 3.337795 1.628049
48 1.695498 1.726868 1.810764 1.548928 2.121231 3.337800 1.628741
49 1.764655 1.726951 1.816994 1.622409 2.122550 3.338883 1.628862
50 1.764659 1.727015 1.816997 1.622917 2.123524 3.339027 1.977611