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Table 1
Radial parameters (in cm-1) adopted for the calculations in Ga iv.
| Configuration | Parameter | HFR | Fitted | Ratio | Note |
|
|
|||||
| Even parity | |||||
| 3d10 | E av | 5814 | 5776 | ||
| 3d94s | E av | 148 422 | 156 111 | ||
| ζ 3d | 1407 | 1429 | 1.016 | ||
| G2(3d,4s) | 12 329 | 11 238 | 0.912 | ||
| 3d95s | E av | 339 474 | 345 159 | ||
| ζ 3d | 1417 | 1428 | 1.008 | ||
| G2(3d,5s) | 2908 | 2788 | 0.959 | ||
| 3d96s | E av | 408 900 | 414 843 | ||
| ζ 3d | 1419 | 1420 | 1.001 | ||
| G2(3d,6s) | 1188 | 1373 | 1.155 | ||
| 3d97s | E av | 442 172 | 448 263 | ||
| ζ 3d | 1419 | 1433 | 1.010 | ||
| G2(3d,7s) | 610 | 602 | 0.987 | ||
| 3d94d | E av | 328 479 | 337 724 | ||
| ζ 3d | 1416 | 1383 | 0.977 | ||
| ζ 4d | 80 | 80 | 1.000 | F | |
| F2(3d,4d) | 12 570 | 10 395 | 0.827 | ||
| F4(3d,4d) | 5095 | 5736 | 1.126 | ||
| G0(3d,4d) | 4565 | 3720 | 0.815 | R1 | |
| G2(3d,4d) | 4572 | 3725 | 0.815 | R1 | |
| G4(3d,4d) | 3310 | 2697 | 0.815 | R1 | |
| 3d95d | E av | 405 047 | 411 209 | ||
| ζ 3d | 1418 | 1428 | 1.007 | ||
| ζ 5d | 36 | 36 | 1.000 | F | |
| F2(3d,5d) | 4880 | 5336 | 1.093 | ||
| F4(3d,5d) | 2065 | 2372 | 1.149 | ||
| G0(3d,5d) | 1843 | 1080 | 0.586 | R2 | |
| G2(3d,5d) | 1921 | 1125 | 0.586 | R2 | |
| G4(3d,5d) | 1411 | 826 | 0.586 | R2 | |
| 3d96d | E av | 440 279 | 446 459 | ||
| ζ 3d | 1419 | 1471 | 1.037 | ||
| ζ 6d | 19 | 19 | 1.000 | F | |
| F2(3d,6d) | 2451 | 2883 | 1.176 | ||
| F4(3d,6d) | 1064 | 450 | 0.423 | ||
| G0(3d,6d) | 939 | 332 | 0.353 | R3 | |
| G2(3d,6d) | 997 | 352 | 0.353 | R3 | |
| G4(3d,6d) | 736 | 260 | 0.353 | R3 | |
| Odd parity | |||||
| 3d94p | E av | 226 352 | 234 585 | ||
| ζ 3d | 1410 | 1436 | 1.019 | ||
| ζ 4p | 1471 | 1703 | 1.158 | ||
| F2(3d,4p) | 24 145 | 23 088 | 0.956 | ||
| G1(3d,4p) | 8521 | 7610 | 0.893 | ||
| G3(3d,4p) | 7597 | 7510 | 0.989 | ||
| 3d95p | E av | 366 254 | 372 016 | ||
| ζ 3d | 1417 | 1431 | 1.010 | ||
| ζ 5p | 511 | 578 | 1.131 | ||
| F2(3d,5p) | 7351 | 7159 | 0.974 | ||
| G1(3d,5p) | 2389 | 2224 | 0.931 | ||
| G3(3d,5p) | 2267 | 2375 | 1.047 | ||
| 3d96p | E av | 421 207 | 427 206 | ||
| ζ 3d | 1419 | 1430 | 1.008 | ||
| ζ 6p | 239 | 239 | 1.000 | F | |
| F2(3d,6p) | 3232 | 3239 | 1.002 | ||
| G1(3d,6p) | 1048 | 992 | 0.947 | ||
| G3(3d,6p) | 1012 | 1055 | 1.043 | ||
| 3d94f | E av | 393 407 | 400 426 | ||
| ζ 3d | 1420 | 1433 | 1.009 | ||
| ζ 4f | 1 | 1 | 1.000 | F | |
| F2(3d,4f) | 3960 | 3640 | 0.919 | ||
| F4(3d,4f) | 932 | 775 | 0.832 | ||
| G1(3d,4f) | 796 | 646 | 0.812 | R4 | |
| G3(3d,4f) | 452 | 367 | 0.812 | R4 | |
| G5(3d,4f) | 309 | 250 | 0.812 | R4 | |
| 3d84s4p | E av | 423 926 | 438 259 | ||
| F2(3d,3d) | 134 652 | 116 372 | 0.864 | ||
| F4(3d,3d) | 84 593 | 73 554 | 0.870 | ||
| α | 0 | 93 | |||
| ζ 3d | 1508 | 1532 | 1.015 | ||
| ζ 4p | 1724 | 1941 | 1.126 | ||
| F2(3d,4p) | 25 967 | 25 518 | 0.983 | ||
| G2(3d,4s) | 12 383 | 10 647 | 0.860 | ||
| G1(3d,4p) | 8854 | 8463 | 0.956 | ||
| G3(3d,4p) | 8070 | 7998 | 0.991 | ||
| G1(4s,4p) | 67 204 | 55 582 | 0.827 | ||
Notes. F: parameter fixed to its ab initio value; R1, R2, R3, R4: ratios of these parameters were fixed in the fitting process.
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