Table 3: Comparison between experimental and calculated energy levels in Ac I.

Designationa		 J $E_{\rm exp}^a$ $E_{\rm calc}^b$ $\Delta E^c$ gd Compositione
    ( cm-1) ( cm-1) ( cm-1)    
Even parity            
6 d7 s2 2 D 3/2 0.00 0 0 0.799 90% 6 d7 s2 2 D
6 d7 s2 2 D 5/2 2231.43 2231 0 1.200 89% 6 d7 s2 2 D + 5% 6 d2(1 D)7 s 2 D
6 d2(3 F)7 s 4 F 3/2 9217.28 9204 13 1.679 95% 6 d2(3 F)7 s 4 F
6 d2(3 F)7 s 4 F 5/2 9863.59 9879 -15 1.031 94% 6 d2(3 F)7 s 4 F
6 d2(3 F)7 s 4 F 7/2 10 906.02 10 910 -4 1.237 97% 6 d2(3 F)7 s 4 F
6 d2(3 F)7 s 4 F 9/2 12 078.07 12 072 6 1.329 97% 6 d2(3 F)7 s 4 F
Odd parity            
  1/2   9465   0.663 84% 7 s27 p 2 P$^{\circ}$ + 10% 6 d7 s(3 D)7 p 2 P$^{\circ}$
  3/2   13 173   1.334 78% 7 s27 p 2 P$^{\circ}$ + 12% 6 d7 s(3 D)7 p 2 P$^{\circ}$
6 d7 s(3 D)7 p 4 F$^{\circ}$ 3/2 13 712.90 15 193 -1480 0.465 84% 6 d7 s(3 D)7 p 4 F$^{\circ}$ + 8% 6 d7 s(3 D)7 p 2 D$^{\circ}$
6 d7 s(3 D)7 p 4 F$^{\circ}$ 5/2 14 940.72 16 290 -1349 1.071 70% 6 d7 s(3 D)7 p 4 F$^{\circ}$ + 10% 6 d7 s(3 D)7 p 2 D$^{\circ}$ + 8% 6 d7 s(1 D)7 p 2 D$^{\circ}$
6 d7 s(3 D)7 p 4 D$^{\circ}$ 1/2 17 199.71 17 561 -361 0.058 93% 6 d7 s(3 D)7 p 4 D$^{\circ}$
6 d7 s(3 D)7 p 4 F$^{\circ}$ 7/2 17 683.87 18 852 -1168 1.239 94% 6 d7 s(3 D)7 p 4 F$^{\circ}$
6 d7 s(3 D)7 p 2 D$^{\circ}$ 3/2 17 736.26 18 237 -501 1.157 81% 6 d7 s(3 D)7 p 4 D$^{\circ}$ + 5% 6 d7 s(1 D)7 p 2 D$^{\circ}$
6 d7 s(3 D)7 p 2 D$^{\circ}$ 5/2 17 950.71 19 063 -1112 1.223 27% 6 d7 s(3 D)7 p 4 D$^{\circ}$ + 24% 6 d7 s(3 D)7 p 4 F$^{\circ}$
6 d7 s(3 D)7 p 4 D$^{\circ}$ 3/2 19 012.46 20 158 -1146 0.992 35% 6 d7 s(3 D)7 p 2 D$^{\circ}$ + 24% 6 d7 s(1 D)7 p 2 D$^{\circ}$ + 21% 6 d7 s(3 D)7 p 4 P$^{\circ}$
6 d7 s(3 D)7 p 4 D$^{\circ}$ 5/2 21 195.87 19 957 1239 1.373 61% 6 d7 s(3 D)7 p 4 D$^{\circ}$ + 18% 6 d7 s(3 D)7 p 4 P$^{\circ}$ + 10% 6 d7 s(3 D)7 p 2 D$^{\circ}$
  9/2   21 559   1.334 98% 6 d7 s(3 D)7 p 4 F$^{\circ}$
6 d7 s(3 D)7 p 4 P$^{\circ}$ 1/2 22 401.52 20 944 1457 2.596 95% 6 d7 s(3 D)7 p 4 P$^{\circ}$
6 d7 s(3 D)7 p 4 P$^{\circ}$ 3/2 22 801.10 21 415 1386 1.511 67% 6 d7 s(3 D)7 p 4 P$^{\circ}$ + 9% 6 d7 s(3 D)7 p 4 D$^{\circ}$ + 8% 6 d7 s(1 D)7 p 2 D$^{\circ}$
6 d7 s(3 D)7 p 4 D$^{\circ}$ 7/2 23 475.94 21 222 2254 1.402 88% 6 d7 s(3 D)7 p 4 D$^{\circ}$ + 5% 6 d7 s(3 D)7 p 2 F$^{\circ}$
6 d7 s(3 D)7 p 4 P$^{\circ}$ 5/2 23 898.86 22 787 1112 1.317 55% 6 d7 s(3 D)7 p 4 P$^{\circ}$ + 23% 6 d7 s(1 D)7 p 2 F$^{\circ}$ + 5% 6 d7 s(1 D)7 p 2 D$^{\circ}$
6 d7 s(3 D)7 p 2 F$^{\circ}$ 5/2 23 916.84 23 914 3 1.048 31% 6 d7 s(1 D)7 p 2 F$^{\circ}$ + 17% 6 d7 s(3 D)7 p 4 P$^{\circ}$ + 14% 6 d7 s(3 D)7 p 2 F$^{\circ}$
6 d7 s(3 D)7 p 2 F$^{\circ}$ 7/2 24 969.30 26 001 -1032 1.164 53% 6 d7 s(1 D)7 p 2 F$^{\circ}$ + 27% 6 d7 s(3 D)7 p 2 F$^{\circ}$ + 7% 6 d7 s(3 D)7 p 4 D$^{\circ}$
6 d7 s(3 D)7 p 2 P$^{\circ}$ 1/2 25 729.03 26 821 -1092 0.661 40% 6 d7 s(1 D)7 p 2 P$^{\circ}$ + 31% 6 d7 s(3 D)7 p 2 P$^{\circ}$ + 10% 6 d2(1 D)7 p 2 P$^{\circ}$
6 d7 s(1 D)7 p 2 D$^{\circ}$ 3/2 26 066.04 25 192 874 0.857 35% 6 d7 s(3 D)7 p 2 D$^{\circ}$ + 35% 6 d7 s(1 D)7 p 2 D$^{\circ}$ + 16% 6 d2(3 F)7 p 2 D$^{\circ}$
6 d7 s(1 D)7 p 2 D$^{\circ}$ 5/2 26 533.16 25 296 1237 0.919 55% 6 d7 s(3 D)7 p 2 F$^{\circ}$ + 17% 6 d7 s(1 D)7 p 2 F$^{\circ}$ + 8% 6 d7 s(3 D)7 p 2 D$^{\circ}$
6 d7 s(1 D)7 p 2 F$^{\circ}$ 5/2 26 836.20 28 619 -1783 1.161 33% 6 d7 s(3 D)7 p 2 D$^{\circ}$ + 32% 6 d7 s(1 D)7 p 2 D$^{\circ}$ + 16% 6 d2(3 F)7 p 2 D$^{\circ}$
6 d7 s(3 D)7 p 2 P$^{\circ}$ 3/2 27 009.84 27 227 -217 1.295 70% 6 d7 s(1 D)7 p 2 P$^{\circ}$ + 11% 6 d2(1 D)7 p 2 P$^{\circ}$ + 7% 6 d7 s(1 D)7 p 2 D$^{\circ}$
6 d7 s(1 D)7 p 2 F$^{\circ}$ 7/2 28 568.40 27 050 1518 1.148 44% 6 d7 s(3 D)7 p 2 F$^{\circ}$ + 22% 6 d7 s(1 D)7 p 2 F$^{\circ}$ + 10% 5 f7 s2 2 F$^{\circ}$
  1/2   29 062   0.683 39% 6 d7 s(1 D)7 p 2 P$^{\circ}$ + 26% 6 d7 s(3 D)7 p 2 P$^{\circ}$ + 19% 7 s28 p 2 P$^{\circ}$
6 d7 s(1 D)7 p 2 P$^{\circ}$ 3/2 30 396.61 30 103 294 1.325 43% 6 d7 s(3 D)7 p 2 P$^{\circ}$ + 35% 7 s28 p 2 P$^{\circ}$ + 6% 7 s27 p 2 P$^{\circ}$
6 d2(3 F)7 p 4 G$^{\circ}$ 5/2 31 494.68 31 068 427 0.614 85% 6 d2(3 F)7 p 4 G$^{\circ}$
6 d2(3 F)7 p 4 G$^{\circ}$ 7/2 32 219.62 33 007 -787 0.993 93% 6 d2(3 F)7 p 4 G$^{\circ}$
6 d2(3 F)7 p 4 G$^{\circ}$ 9/2 32 867.39 35 080 -2213 1.168 94% 6 d2(3 F)7 p 4 G$^{\circ}$
6 d2(3 F)7 p 4 G$^{\circ}$ 11/2 33 429.76 37 381 -3951 1.264 92% 6 d2(3 F)7 p 4 G$^{\circ}$
a From Blaise & Wyart (1992). b Semi-empirical HFR calculations (present work). c  $\Delta E = E_{\rm exp} - E_{\rm calc}$. d Landé factor as calculated in the present work. e Only the first three components $\geq$5% are given.

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