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Table A.3

Radial parameters (in cm-1) adopted for the calculations in Zr vi.

Configuration Parameter HFR Fitted Ratio Notea

Odd parity
4p5 E av 22 997 23 322
ζ 4p 10 007 10 580 1.057
4p45p E av 461 912 446 765
F2(4p,4p) 84 088 79 559 0.946
α 0 –651
ζ 4p 10 577 10 907 1.031
ζ 5p 2382 2701 1.134
F2(4p,5p) 26 052 21 472 0.824
G0(4p,5p) 5535 4696 0.848
G2(4p,5p) 7459 6664 0.893
Even parity
4s4p6 E av 251 206 224 383
4p44d E av 289 403 291 464
F2(4p,4p) 82 744 78 447 0.948
α 0 –450
ζ 4p 10 187 10 521 1.033
ζ 4d 721 854 1.184
F2(4p,4d) 69 677 62 179 0.892
G1(4p,4d) 86 802 72 077 0.831
G3(4p,4d) 53 829 45 721 0.849
4p45d E av 536 543 535 860
F2(4p,4p) 84 140 77 928 0.926
α 0 –450 F
ζ 4p 10 569 10 891 1.030
ζ 5d 217 259 1.191
F2(4p,5d) 19 555 16 945 0.867
G1(4p,5d) 10 870 8250 0.759 R1
G3(4p,5d) 8037 6100 0.759 R1
4p45s E av 386 802 387 950
F2(4p,4p) 83 739 79 833 0.953
α 0 –665
ζ 4p 10 498 10 846 1.033
G1(4p,5s) 8725 7618 0.873
4p46s E av 564 837 564 005
F2(4p,4p) 84 213 81 311 0.965
α 0 –332
ζ 4p 10 600 11 164 1.053
G1(4p,6s) 2787 2372 0.851
4s4p6–4p44d R1(4p4p;4s4d) 96 078 72 916 0.759 R2
4s4p6–4p45d R1(4p4p;4s5d) 32 299 24 513 0.759 R2

Notes.

(a)

F: Fixed parameter value; Rn: ratios of these parameters have been fixed in the fitting process.

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