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Table A.1
Radial parameters (in cm-1) adopted for the calculations in Zr iv.
| Configuration | Parameter | HFR | Fitted | Ratio | Notea |
|
|
|||||
| Even parity | |||||
| 4d | Eav | 3588 | 3569 | ||
| ζ 4d | 515 | 503 | 0.975 | ||
| 5d | E av | 149 752 | 147 800 | ||
| ζ 5d | 116 | 136 | 1.172 | ||
| 6d | Eav | 200 505 | 198 248 | ||
| ζ 6d | 53 | 64 | 1.209 | ||
| 5s | Eav | 42 289 | 41 703 | ||
| 6s | Eav | 155 574 | 152 690 | ||
| 7s | Eav | 202 666 | 200 188 | ||
| 8s | Eav | 227 115 | 224 846 | ||
| 5g | Eav | 208 796 | 207 068 | ||
| ζ 5g | 0.4 | 0.4 | 1.000 | F | |
| 6g | Eav | 230 427 | 228 611 | ||
| ζ 6g | 0.2 | 0.2 | 1.000 | F | |
| 7g | Eav | 243 494 | 241 615 | ||
| ζ 7g | 0.1 | 0.1 | 1.000 | F | |
| 8g | Eav | 251 971 | 250 056 | ||
| ζ 8g | 0.1 | 0.1 | 1.000 | F | |
| 9g | Eav | 257 782 | 255 844 | ||
| ζ 9g | 0.0 | 0.0 | 1.000 | F | |
| Odd parity | |||||
| 5p | Eav | 86 720 | 85 912 | ||
| ζ 5p | 1388 | 1661 | 1.197 | ||
| 6p | Eav | 173 349 | 170 865 | ||
| ζ 6p | 567 | 668 | 1.178 | ||
| 7p | E av | 211 618 | 209 318 | ||
| ζ 7p | 290 | 341 | 1.174 | ||
| 4f | E av | 162 823 | 161 581 | ||
| ζ 4f | 2.3 | 2.3 | 1.000 | F | |
| 5f | E av | 205 133 | 202 889 | ||
| ζ 5f | 1.3 | 1.3 | 1.000 | F | |
| 6f | E av | 228 142 | 225 772 | ||
| ζ 6f | 0.8 | 0.8 | 1.000 | F | |
| 6h | E av | 230 751 | 228 744 | ||
| ζ 6h | 0.1 | 0.1 | 1.000 | F | |
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