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Table A.5
Radial parameters (in cm−1) adopted for the calculations in Cu IV.
| Configuration | Parameter | HFR | Fitted | Ratio | Note (a) |
|---|---|---|---|---|---|
| Even parity | |||||
| 3d8 | Eav | 17 190 | 16 729 | ||
| F2(3d,3d) | 112 092 | 98 330 | 0.877 | ||
| F4(3d,3d) | 69 989 | 60 209 | 0.860 | ||
| α | 0 | 91 | |||
| β | 0 | −237 | |||
| ζ3d | 903 | 910 | 1.007 | ||
| 3d74s | Eav | 147 324 | 152 124 | ||
| F2(3d,3d) | 118 491 | 103 197 | 0.871 | ||
| F4(3d,3d) | 74 277 | 65 197 | 0.878 | ||
| α | 0 | 99 | |||
| β | 0 | −350 | |||
| ζ3d | 978 | 979 | 1.001 | ||
| G2(3d,4s) | 12 035 | 10 802 | 0.898 | ||
| 3d75s | Eav | 325 664 | 330 393 | ||
| F2(3d,3d) | 119 486 | 102 897 | 0.861 | ||
| F4(3d,3d) | 74 953 | 65 472 | 0.874 | ||
| α | 0 | 100 | F | ||
| β | 0 | −350 | F | ||
| ζ3d | 986 | 986 | 1.000 | F | |
| G2(3d,4s) | 2897 | 2608 | 0.900 | F | |
| 3d74d | Eav | 312 783 | 320 069 | ||
| F2(3d,3d) | 119 438 | 103 540 | 0.867 | ||
| F4(3d,3d) | 74 922 | 64 201 | 0.857 | ||
| α | 0 | 73 | |||
| β | 0 | 361 | |||
| ζ3d | 985 | 1021 | 1.037 | ||
| ζ4d | 68 | 68 | 1.000 | F | |
| F2(3d,4d) | 13 224 | 12 461 | 0.942 | ||
| F4(3d,4d) | 5529 | 5503 | 0.995 | ||
| G0(3d,4d) | 5169 | 3754 | 0.726 | R | |
| G2 (3d,4d) | 5040 | 3660 | 0.726 | R | |
| G4 (3d,4d) | 3651 | 2651 | 0.726 | R | |
| 3d6 4s2 | Eav | 334 825 | 345 297 | ||
| F2 (3d,3d) | 124 695 | 112 225 | 0.900 | F | |
| F4 (3d,3d) | 78 447 | 70 603 | 0.900 | F | |
| α | 0 | 0 | F | ||
| β | 0 | 0 | F | ||
| ζ3d | 1056 | 1056 | 1.000 | F | |
| Odd parity | |||||
| 3d7 4p | Eav | 218 061 | 224 378 | ||
| F2 (3d,3d) | 118 845 | 103 882 | 0.874 | ||
| F4 (3d,3d) | 74 519 | 64 989 | 0.872 | ||
| α | 0 | 101 | |||
| β | 0 | −313 | |||
| ζ3d | 980 | 1005 | 1.026 | ||
| ζ4p | 1185 | 1383 | 1.168 | ||
| F2 (3d,4p) | 23 861 | 22 879 | 0.959 | ||
| G1 (3d,4p) | 8425 | 7395 | 0.878 | ||
| G3 (3d,4p) | 7571 | 7132 | 0.942 | ||
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