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Table 1.

Computed excitation energies in cm−1 for the 28 lowest states in Al I.

VV
Pos. Conf. LSJ n = 7 n = 8 n = 9 n = 10 n = 11 n = 12 CV Eobsa ΔE
1 3s2 3p 0 0 0 0 0 0 0 0 0
2 108 108 108 108 108 108 104 112 8
3 3s2 4s 2S1/2 25 318 25 377 25 416 25 419 25 427 25 429 25 196 25 348 152
4 3s 3p2 4P1/2 27 788 27 966 28 073 28 085 28 109 28 111 28 863 29 020 157
5 4P3/2 27 833 28 011 28 118 28 130 28 154 28 156 28 907 29 067 160
6 4P5/2 27 906 28 085 28 191 28 204 28 227 28 230 28 981 29 143 162
7 3s2 3d 2D3/2 32 211 32 077 32 135 32 139 32 150 32 150 32 414 32 435 21
8 2D5/2 32 212 32 079 32 137 32 141 32 152 32 152 32 416 32 437 21
9 3s2 4p  32 770 32 879 32 935 32 937 32 946 32 949 32 801 32 950 149
10 32 786 32 894 32 951 32 952 32 962 32 964 32 814 32 966 152
11 3s2 5s 2S1/2 37 493 37 637 37 693 37 694 37 704 37 706 37 512 37 689 177
12 3s2 4d 2D3/2 a 38 733 38 659 38 711 38 707 38 717 38 718 38 951 38 929 −22
13 2D5/2 a 38 736 38 664 38 717 38 712 38 722 38 724 38 957 38 934 −23
14 3s2 5p 40 038 40 187 40 252 40 249 40 259 40 262 40 101 40 272 171
15 40 043 40 193 40 258 40 255 40 265 40 268 40 106 40 278 172
16 3s2 4f 41 050 41 209 41 282 41 287 41 297 41 300 41 163 41 319 156
17 41 050 41 209 41 282 41 287 41 297 41 300 41 163 41 319 156
18 3s2 6s 2S1/2 41 897 42 069 42 133 42 135 42 144 42 143 41 964 42 144 180
19 3s2 4d 2D3/2 b 42 105 42 071 42 121 42 108 42 119 42 121 42 232 42 234 2
20 2D5/2 b 42 109 42 075 42 126 42 112 42 123 42 125 42 237 42 238 1
21 3s2 6p 43 076 43 246 43 316 43 311 43 321 43 324 43 160 43 335 175
22 43 079 43 249 43 318 43 313 43 324 43 326 43 162 43 338 176
23 3s2 5f 43 549 43 721 43 795 43 801 43 811 43 813 43 660 43 831 171
24 43 549 43 721 43 795 43 801 43 811 43 813 43 660 43 831 171
25 3s2 5g 2G7/2 43 576 43 763 43 838 43 845 43 856 43 859 43 687 43 876 189
26 2G9/2 43 576 43 763 43 838 43 845 43 856 43 859 43 687 43 876 189
27 3s2 5d 2D3/2 44 034 44 059 44 115 44 096 44 106 44 109 44 126 44 166 40
28 2D5/2 44 036 44 062 44 117 44 099 44 109 44 111 44 129 44 169 40

Notes. The energies are given as a function of the increasing active set of orbitals, accounting for VV correlation, where n indicates the maximum principle quantum number of the orbitals included in the active set. In Col. 10, the final energy values are displayed after accounting for CV correlation. The differences ΔE between the final computations and the observed values are shown in the last column. The sequence and labelling of the configurations and LSJ-levels are in accordance with the final (CV) computed energies. The 3s24d 2D term is assigned twice throughout the calculations (see also Table 2) and the subscripts a and b are used to distinguish them. See text for details.

References.

Table 2.

LS-composition of the computed states belonging to the strongly mixed 3s2nd Rydberg series in Al I.

Pos. Conf. LSJ LS-composition Label used in NIST(1)
7,8 3s2 3d 2D3/2,5/2 0.67 + 0.19 3s 3p22D + 0.04 3s2 4d 2D 3s2 3d 2D3/2,5/2
12,13 3s2 4d 2D3/2,5/2 a 0.41 + 0.22 3s2 3d 2D + 0.21 3s 3p22D 3s2 nd y 2D3/2,5/2
19,20 3s2 4d 2D3/2,5/2 b 0.44 + 0.25 3s2 5d 2D + 0.15 3s 3p22D 3s2 4d 2D3/2,5/2
27,28 3s2 5d 2D3/2,5/2 0.58 + 0.19 3s2 6d 2D + 0.10 3s 3p22D 3s2 5d 2D3/2, 5/2

Notes. The three most dominant LS-components are displayed. The first percentage value corresponds to the assigned configuration and term. In all these cases, the percentages for the two different LSJ-levels are the same and are therefore given in the same line. In the last column we provide the labelling of the corresponding observed terms as given in the NIST Database. The first column refers to the positions according to Table 1.

References. (1)Kramida et al. (2018).

(a)

NIST Atomic Spectra Database 2018 (Kramida et al. 2018).

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