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Table A.1

Radial parameters (in cm-1) adopted for the calculations in Mo iv.

Configuration Parameter HFR Fitted Ratio Notea

Even parity
4d3 Eav 17 281 16 028
F2(4d, 4d) 63 593 53 099 0.835
F4(4d, 4d) 41 828 36 184 0.865
α 0 9
β 0 491
ζ4d 812 810 0.997
4d25s Eav 75 210 73 187
F2(4d, 4d) 66 028 53 488 0.810
F4(4d, 4d) 43 601 36 324 0.833
α 0 30
β 0 417
ζ 4d 878 875 0.996
G2(4d, 5s) 15 995 14 485 0.906
4d26s E av 201 514 200 119
F2(4d, 4d) 67 245 53 932 0.802
F4(4d, 4d) 44 505 35 007 0.787
α 0 45
β 0 420 F
ζ 4d 904 924 1.023
G2(4d, 6s) 3356 2624 0.782
4d25d E av 193 759 193 316
F2(4d, 4d) 67 204 54 471 0.811
F4(4d, 4d) 44 476 36 658 0.824
α 0 31
β 0 256
ζ 4d 903 924 1.024
ζ 5d 139 150 1.077
F2(4d, 5d) 14 772 12 432 0.842
F4(4d, 5d) 6861 5749 0.838
G0(4d, 5d) 4764 3206 0.673
G2(4d, 5d) 5093 3789 0.744
G4(4d, 5d) 4081 3439 0.843
Odd parity
4d25p E av 125 149 124 281
F2(4d, 4d) 66 425 53 851 0.811
F4(4d, 4d) 43 895 36 220 0.825
α 0 33
β 0 333
ζ 4d 888 930 1.048
ζ 5p 1801 2130 1.183
F2(4d, 5p) 25 420 23 019 0.906
G1(4d, 5p) 9987 9357 0.937
G3(4d, 5p) 8792 8106 0.922

Notes.

(a)

F is a parameter fixed in the fitting process.

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