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Table 1

Level energies (Ryd) of S xiii from different calculations, along with the compilations of experimental values and other theoretical values.

ID Config. Level E GRASP %Err ID Config. Level E GRASP %Err
1 2s2 1S0 0.000 0.000 0.000 0.000 0.00 50 2s 4p 3P1 37.022 37.028 37.028c
2 2s 2p 3P0 1.817 1.821 1.814 1.815 0.38 51 2s 4p 3P2 37.034 37.039 37.038c
3 2s 2p 3P1 1.860 1.862 1.853 1.854 0.43 52 2s 4p 1P1 37.061 37.067 37.059c 37.059 0.02
4 2s 2p 3P2 1.954 1.954 1.941 1.943 0.57 53 2s 4d 3D1 37.217 37.224 37.221c 37.210 0.04
5 2s 2p 1P1 3.628 3.620 3.554 3.550 1.97 54 2s 4d 3D2 37.219 37.226 37.223c 37.226 0.00
6 2p2 3P0 4.803 4.807 4.770 4.768 0.82 55 2s 4d 3D3 37.222 37.229 37.225c 37.222 0.02
7 2p2 3P1 4.856 4.860 4.819 4.819 0.85 56 2s 4d 1D2 37.335 37.340 37.313c 37.327 0.03
8 2p2 3P2 4.938 4.937 4.894 4.892 0.92 57 2s 4f 3F2 37.341 37.350c
9 2p2 1D2 5.456 5.458 5.376 5.371 1.62 58 2s 4f 3F3 37.342 37.351c
10 2p2 1S0 6.714 6.713 6.585 6.578 2.05 59 2s 4f 3F4 37.343 37.352c
11 2s 3s 3S1 27.430 27.436 27.446 27.431 0.02 60 2s 4f 1F3 37.371 37.378c
12 2s 3s 1S0 27.775 27.780 27.785 61 2p 4s 3P0 38.813 38.822
13 2s 3p 1P1 28.262 28.267 28.265 28.266 0.00 62 2p 4s 3P1 38.833 38.841
14 2s 3p 3P0 28.283 28.285 28.291 63 2p 4s 3P2 38.956 38.957
15 2s 3p 3P1 28.304 28.305 28.309 28.308 –0.01 64 2p 4s 1P1 39.022 39.022
16 2s 3p 3P2 28.321 28.321 28.326 28.319 0.01 65 2p 4p 3D1 39.052 39.061 39.153c
17 2s 3d 3D1 28.770 28.772 28.772 28.776 –0.14 66 2p 4p 3D2 39.117 39.124 39.164c
18 2s 3d 3D2 28.775 28.777 28.777 28.782 –0.17 67 2p 4p 1P1 39.117 39.124 39.109c
19 2s 3d 3D3 28.783 28.785 28.784 28.787 –0.01 68 2p 4p 3P0 39.188 39.193 39.175c
20 2s 3d 1D2 29.127 29.129 29.101 28.380 0.10 69 2p 4p 3D3 39.222 39.222 39.259c
21 2p 3s 3P0 29.722 29.730 29.725 70 2p 4p 3S1 39.227 39.228
22 2p 3s 3P1 29.760 29.766 29.760 71 2p 4d 3F2 39.251 39.259 39.258c
23 2p 3s 3P2 29.863 29.864 29.858 72 2p 4p 3P1 39.283 39.283 39.234c
24 2p 3s 1P1 30.181 30.180 30.146 73 2p 4p 3P2 39.288 39.287
25 2p 3p 1P1 30.263 30.267 30.252c 30.249 0.06 74 2p 4d 3F3 39.302 39.309 39.302c
26 2p 3p 3D1 30.374 30.374 30.362c 75 2p 4d 1D2 39.319 39.325 39.322c
27 2p 3p 3D2 30.394 30.394 30.382c 30.386 0.03 76 2p 4d 3D1 39.366 39.373 39.373c
28 2p 3p 3D3 30.490 30.484 30.472c 30.474 0.03 77 2p 4p 1D2 39.370 39.370 39.353c
29 2p 3p 3S1 30.601 30.599 30.591c 30.579 0.07 78 2p 4f 3G3 39.384 39.495c
30 2p 3p 3P0 30.654 30.655 30.634c 79 2p 4f 3F3 39.394 39.396c
31 2p 3p 3P1 30.710 30.708 30.680c 30.669 0.13 80 2p 4f 3F4 39.395 39.397c
32 2p 3p 3P2 30.749 30.747 30.726c 30.734 0.04 81 2p 4d 3F4 39.398 39.399 39.377c
33 2p 3d 3F2 30.767 30.766 30.763 82 2p 4f 3F2 39.401 39.400c
34 2p 3d 3F3 30.835 30.832 30.826 83 2p 4d 3P2 39.422 39.424 39.469c
35 2p 3d 1D2 30.875 30.873 30.853c 84 2p 4d 3D3 39.460 39.460 39.449c 39.462 –0.01
36 2p 3d 3F4 30.914 30.908 30.899 85 2p 4d 3D2 39.490 39.490 39.410c 39.489 0.00
37 2p 3p 1D2 30.990 30.991 30.946c 30.949 0.14 86 2p 4d 3P1 39.498 39.498 39.474c
38 2p 3d 3D1 31.079 31.083 31.078 31.046 0.12 87 2p 4d 3P0 39.504 39.504 39.477c
39 2p 3d 3D2 31.102 31.104 31.099 31.071 0.11 88 2p 4f 1F3 39.514 39.396c
40 2p 3d 3D3 31.149 31.150 31.144 31.100 0.16 89 2p 4f 3G4 39.521 39.500c
41 2p 3d 3P2 31.233 31.230 31.222 31.170 0.19 90 2p 4p 1S0 39.524 39.523 39.540c
42 2p 3d 3P1 31.253 31.248 31.241 31.204 0.14 91 2p 4f 3G5 39.543 39.519c
43 2p 3d 3P0 31.264 31.259 31.253 92 2p 4f 3D3 39.551 39.527c
44 2p 3p 1S0 31.417 31.417 31.331c 31.332 0.27 93 2p 4f 3D2 39.557 39.532c
45 2p 3d 1F3 31.562 31.567 31.520 31.517 0.16 94 2p 4f 1G4 39.560 39.535c
46 2p 3d 1P1 31.614 31.617 31.577 31.504 0.36 95 2p 4f 3D1 39.583 39.554c
47 2s 4s 3S1 36.687 36.696 36.676c 36.671 0.07 96 2p 4f 1D2 39.596 39.566c
48 2s 4s 1S0 36.813 36.818 36.797c 36.818 0.00 97 2p 4d 1F3 39.608 39.609 39.489
49 2s 4p 3P0 37.018 37.024 37.025c 98 2p 4d 1P1 39.626 39.626

Notes.

(b)

NIST MCDF compilations;

(d)

NIST v4 and Chianti v7.

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