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Table A.1.
Atomic state function composition (up to three LS components with a contribution >0.02 of the total wave function) in LS-coupling and energy levels (in cm−1) for Ti II.
| ilev | State | LS-composition | ERCI | ENIST |
|---|---|---|---|---|
| 1 |
 |
0.93 | 0 | 0 |
| 2 |
 |
0.93 | 90 | 94 |
| 3 |
 |
0.93 | 215 | 226 |
| 4 |
 |
0.93 | 375 | 393 |
| 5 |
 |
0.94 | 963 | 908 |
| 6 |
 |
0.94 | 1 034 | 984 |
| 7 |
 |
0.94 | 1 132 | 1 087 |
| 8 |
 |
0.94 | 1 253 | 1 216 |
| 9 |
 |
0.90 | 4 775 | 4 629 |
| 10 |
 |
0.90 | 5 032 | 4 898 |
| 11 |
 |
0.71 + 0.14  + 0.05  |
8 835 | 8 711 |
| 12 |
 |
0.73 + 0.13  + 0.05  |
8 867 | 8 744 |
| 13 |
 |
0.89 + 0.04  |
9 256 | 8 998 |
| 14 |
 |
0.89 + 0.04  |
9 370 | 9 118 |
| 15 |
 |
0.85 + 0.04  + 0.03  |
9 506 | 9 364 |
| 16 |
 |
0.82 + 0.05  + 0.04  |
9 537 | 9 396 |
| 17 |
 |
0.89 + 0.04  |
9 655 | 9 518 |
| 18 |
 |
0.61 + 0.26  + 0.03  |
9 938 | 9 851 |
| 19 |
 |
0.86 + 0.06  |
9 969 | 9 873 |
| 20 |
 |
0.89 + 0.04  |
10 022 | 9 931 |
| 21 |
 |
0.59 + 0.25  + 0.07  |
10 057 | 9 976 |
| 22 |
 |
0.88 + 0.04  |
10 111 | 10 025 |
| 23 |
 |
0.51 + 0.20  + 0.20  |
12 920 | 12 629 |
| 24 |
 |
0.52 + 0.20  + 0.19  |
13 043 | 12 758 |
| 25 |
 |
0.93 | 13 061 | 12 677 |
| 26 |
 |
0.93 | 13 154 | 12 775 |
| 27 |
 |
0.89 + 0.04  |
15 598 | 15 258 |
| 28 |
 |
0.89 + 0.04  |
15 607 | 15 266 |
| 29 |
 |
0.64 + 0.27  |
16 889 | 16 516 |
| 30 |
 |
0.64 + 0.27  |
16 992 | 16 625 |
| 31 |
 |
0.91 | 21 358 | 20 892 |
| 32 |
 |
0.91 | 21 415 | 20 952 |
| 33 | 3d2D 4s22D3/2 | 0.64 + 0.12  + 0.11  |
25 080 | 24 961 |
| 34 | 3d2D 4s22D5/2 | 0.62 + 0.12  + 0.12  |
25 316 | 25 193 |
| 35 |
 |
0.93 | 29 561 | 29 544 |
| 36 |
 |
0.94 | 29 744 | 29 735 |
| 37 |
 |
0.94 | 29 969 | 29 968 |
| 38 |
 |
0.94 | 30 233 | 30 241 |
| 39 |
 |
0.92 + 0.02  |
30 818 | 30 836 |
| 40 |
 |
0.93 | 30 935 | 30 959 |
| 41 |
 |
0.93 | 31 084 | 31 114 |
| 42 |
 |
0.78 + 0.08  + 0.03  |
31 258 | 31 208 |
| 43 |
 |
0.94 | 31 263 | 31 301 |
| 44 |
 |
0.82 + 0.08  |
31 530 | 31 491 |
| 45 |
 |
0.77 + 0.08  + 0.02  |
31 779 | 31 757 |
| 46 |
 |
0.72 + 0.08  + 0.05  |
32 038 | 32 026 |
| 47 |
 |
0.92 | 32 129 | 31 788 |
| 48 |
 |
0.92 | 32 527 | 32 532 |
| 49 |
 |
0.89 + 0.02  |
32 593 | 32 603 |
| 50 |
 |
0.86 + 0.05  |
32 683 | 32 698 |
| 51 |
 |
0.91 | 32 746 | 32 767 |
| 52 |
 |
0.52 + 0.19 3p6 3d2D 4s22D + 0.15  |
32 754 | 32 275 |
| 53 |
 |
0.52 + 0.20 3p6 3d2D 4s22D + 0.14  |
32 798 | 32 333 |
| 54 |
 |
0.89 + 0.05  |
34 742 | 34 543 |
| 55 |
 |
0.89 + 0.05  |
34 936 | 34 749 |
| 56 |
 |
0.94 | 37 499 | 37 431 |
| 57 |
 |
0.51 + 0.29  + 0.05  |
39 357 | 39 233 |
| 58 |
 |
0.70 + 0.06  + 0.05 3p6 3d2D 4s3D 4p2D° |
39 599 | 39 477 |
| 59 |
 |
0.58 + 0.24  + 0.05  |
39 723 | 39 603 |
| 60 |
 |
0.92 | 39 789 | 39 675 |
| 61 |
 |
0.77 + 0.09  + 0.05  |
40 143 | 39 927 |
| 62 |
 |
0.89 + 0.05  |
40 200 | 40 027 |
| 63 |
 |
0.77 + 0.09  + 0.06  |
40 292 | 40 075 |
| 64 |
 |
0.92 | 40 423 | 40 330 |
| 65 |
 |
0.91 | 40 515 | 40 426 |
| 66 |
 |
0.90 | 40 668 | 40 582 |
| 67 |
 |
0.86 + 0.05  |
40 883 | 40 798 |
| 68 |
 |
0.91 + 0.03 3p6 3d2D 4s3D 4p4P° | 42 084 | 41 997 |
| 69 |
 |
0.91 + 0.03 3p6 3d2D 4s3D 4p4P° | 42 154 | 42 069 |
| 70 |
 |
0.90 + 0.03 3p6 3d2D 4s3D 4p4P° | 42 289 | 42 209 |
| 71 |
 |
0.89 + 0.05  |
44 088 | 43 741 |
| 72 |
 |
0.88 + 0.05  |
44 127 | 43 781 |
| 73 |
 |
0.76 + 0.09  + 0.05  |
45 286 | 44 902 |
| 74 |
 |
0.74 + 0.09  + 0.04  |
45 296 | 44 915 |
| 75 |
 |
0.87 + 0.03 3p6 3d2D 4s3D 4p2P° + 0.02 3p6 3d2D 4s1D 4p2P° | 45 761 | 45 472 |
| 76 |
 |
0.84 + 0.03 3p6 3d2D 4s3D 4p2P° + 0.02  |
45 839 | 45 549 |
| 77 |
 |
0.93 | 46 047 | 45 674 |
| 78 |
 |
0.94 | 46 277 | 45 909 |
| 79 |
 |
0.84 + 0.07 3p6 3d2D 4s3D 4p2F° + 0.02  |
47 737 | 47 467 |
| 80 |
 |
0.84 + 0.07 3p6 3d2D 4s3D 4p2F° + 0.02  |
47 893 | 47 625 |
| 81 |
 |
0.73 + 0.15 3p6 3d2D 4s3D 4p4D° | 52 134 | 52 330 |
| 82 |
 |
0.88 | 52 184 | 52 339 |
| 83 |
 |
0.61 + 0.27 3p6 3d2D 4s3D 4p4D° | 52 280 | 52 472 |
| 84 |
 |
0.73 + 0.16 3p6 3d2D 4s3D 4p4F° | 52 288 | 52 459 |
| 85 |
 |
0.60 + 0.29 3p6 3d2D 4s3D 4p4F° | 52 447 | 52 631 |
| 86 |
 |
0.51 + 0.39 3p6 3d2D 4s3D 4p4D° + 0.02 3p6 3d2D 4s3D 5p2F° | 52 510 | 52 705 |
| 87 |
 |
0.49 + 0.40 3p6 3d2D 4s3D 4p4F° | 52 650 | 52 847 |
| 88 |
 |
0.90 + 0.02 3p6 3d2D 4s3D 5p4F° | 52 866 | 53 097 |
| 89 |
 |
0.53 + 0.28 3p6 3d2D 4s3D 4p2D° + 0.06  |
53 507 | 53 555 |
| 90 |
 |
0.53 + 0.28 3p6 3d2D 4s3D 4p2D° + 0.06  |
53 546 | 53 597 |
| 91 |
 |
0.89 + 0.03  |
56 030 | 56 223 |
| 92 |
 |
0.88 + 0.03  |
56 054 | 56 249 |
| 93 |
 |
0.88 + 0.03  |
56 124 | 56 326 |
| 94 |
 |
0.73 + 0.14 3p6 3d2D 4s3D 4p2F° + 0.04  |
59 328 | 59 322 |
| 95 |
 |
0.46 + 0.27 3p6 3d2D 4s3D 4p2P° + 0.17  |
59 411 | 59 388 |
| 96 |
 |
0.72 + 0.15 3p6 3d2D 4s3D 4p2F° + 0.04  |
59 476 | 59 468 |
| 97 |
 |
0.42 + 0.27 3p6 3d2D 4s3D 4p2P° + 0.21  |
59 485 | 59 440 |
| 98 |
 |
0.62 + 0.25 3p6 3d2D 4s1D 4p2P° + 0.03  |
63 812 | 63 277 |
| 99 |
 |
0.65 + 0.22 3p6 3d2D 4s1D 4p2P° + 0.03  |
63 930 | 63 375 |
Notes. Energy levels are given relative to the ground state.
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