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Table A.6

Comparison between available experimental and calculated energy levels in Zr v.

Eexp a Ecalc b ΔE J Leading components (in %) in LS couplingc
Even parity
0.00 0 0 0 97 4p61S
371 895.16 372 099 –204 1 84 4p55p 3S + 13 4p55p 3P
376 897.68 376 807 91 2 57 4p55p 3D + 36 4p55p 1D + 7 4p55p 3P
378 753.36 378 653 100 3 99 4p55p 3D
380 855.53 380 904 –48 1 46 4p55p 1P + 30 4p55p 3D + 20 4p55p 3P
382 985.08 382 952 33 2 67 4p55p 3P + 30 4p55p 1D
388 852.95 388 865 –12 0 77 4p55p 3P + 22 4p55p 1S
391 998.41 392 073 –75 1 64 4p55p 3D + 33 4p55p 1P
395 994.98 395 944 51 2 40 4p55p 3D + 33 4p55p 1D + 25 4p55p 3P
396 300.35 396 396 –96 1 64 4p55p 3P + 19 4p55p 1P + 11 4p55p 3S
402 688.40 402 529 160 0 76 4p55p 1S + 22 4p55p 3P
434 714.60 434 703 12 1 55 4s4p64d 3D + 31 4p54f 3D + 8 4p44d23D
435 759.10 435 755 4 2 56 4s4p64d 3D + 29 4p54f 3D + 8 4p44d23D
437 678.10 437 641 38 3 58 4s4p64d 3D + 25 4p54f 3D + 9 4p44d23D
450 133.70 450 156 –22 2 49 4s4p64d 1D + 19 4p44d21D + 18 4p54f 1D
453 680.80 453 610 71 5 94 4p54f 3G
454 538.80 454 537 1 4 59 4p54f 3G + 33 4p54f 1G
457 546.70 457 482 65 3 43 4p54f 3G + 29 4p54f 1F + 22 4p54f 3F
458 432.20 458 479 –47 4 54 4p54f 3F + 31 4p54f 1G + 8 4p54f 3G
460 476.90 460 554 –77 1 62 4p54f 3D + 18 4s4p64d 3D + 10 4p44d23D
460 694.10 460 714 –20 2 42 4p54f 3D + 27 4p54f 3F + 14 4s4p64d 3D
460 767.50 460 886 –119 3 28 4p54f 3D + 27 4p54f 3F + 21 4p54f 1F
464 015.40 463 932 83 2 32 4p54f 3F + 31 4p54f 1D + 15 4s4p64d 1D
470 773.50 470 677 96 3 50 4p54f 3G + 25 4p54f 1F + 18 4p54f 3F
471 762.40 471 785 –22 4 37 4p54f 3F + 30 4p54f 1G + 26 4p54f 3G
473 715.40 473 766 –51 3 40 4p54f 3D + 26 4p54f 3F + 19 4p54f 1F
476 130.20 476 166 –35 2 46 4p54f 1D + 31 4p54f 3F + 11 4p54f 3D
491 116.00 491 414 –298 1 78 4p56p 3S + 16 4p56p 3P
494 472.00 495 996 –1524 1 55 4p56p 1P + 22 4p56p 3P + 21 4p56p 3D
494 760.00 494 729 31 3 99 4p56p 3D
495 912.00 494 141 1771 2 52 4p56p 3D + 41 4p56p 1D + 6 4p56p 3P
496 428.00 496 722 –294 2 73 4p56p 3P + 24 4p56p 1D
499 459.00 498 891 568 0 55 4p56p 1S + 42 4p56p 3P
509 310.00 509 042 268 1 67 4p56p 3D + 30 4p56p 1P
510 066.00 510 179 –113 1 60 4p56p 3P + 13 4p56p 3S + 12 4p56p 1P
510 942.00 511 814 –872 0 57 4p56p 3P + 38 4p56p 1S
511 263.00 510 586 677 2 45 4p56p 3D + 33 4p56p 1D + 21 4p56p 3P
Odd parity
241 381.30 241 649 –268 0 99 4p54d 3P
243 560.80 243 779 –218 1 97 4p54d 3P
247 962.30 248 100 –138 2 91 4p54d 3P + 6 4p54d 3D
251 283.30 250 854 429 4 99 4p54d 3F
253 753.40 253 327 426 3 87 4p54d 3F + 8 4p54d 1F + 5 4p54d 3D
257 361.30 257 118 243 2 75 4p54d 3F + 14 4p54d 1D + 10 4p54d 3D
265 845.50 266 213 –367 3 65 4p54d 3D + 35 4p54d 1F
270 560.80 270 736 –176 2 49 4p54d 1D + 26 4p54d 3D + 24 4p54d 3F
271 601.60 271 544 57 1 96 4p54d 3D
274 654.60 274 810 –155 2 57 4p54d 3D + 34 4p54d 1D + 8 4p54d 3P
277 145.50 276 979 166 3 57 4p54d 1F + 30 4p54d 3D + 13 4p54d 3F
325 014.87 325 066 –52 2 99 4p55s 3P
327 616.99 327 532 85 1 38 4p55s 1P + 34 4p55s 3P + 25 4p54d 1P
328 940.75 328 971 –30 1 68 4p54d 1P + 15 4p55s 3P + 12 4p55s 1P
340 315.49 340 258 57 0 99 4p55s 3P
342 245.65 342 305 –60 1 50 4p55s 3P + 49 4p55s 1P
452 938.91 452 953 –14 0 99 4p55d 3P
453 905.60 453 911 –5 1 89 4p55d 3P + 10 4p55d 3D
455 444.40 455 398 47 4 99 4p55d 3F
455 630.80 455 629 2 2 66 4p55d 3P + 24 4p55d 3D + 9 4p55d 1D
455 925.27 455 941 –16 3 60 4p55d 3F + 34 4p55d 1F + 5 4p55d 3D
457 613.10 457 595 18 2 44 4p55d 1D + 31 4p55d 3F + 23 4p55d 3D
458 523.70 458 496 28 3 66 4p55d 3D + 30 4p55d 1F
462 307.40 462 375 –68 1 56 4p55d 3D + 37 4p55d 1P
471 306.30 471 306 0 2 66 4p55d 3F + 25 4p55d 1D + 7 4p55d 3D
472 015.28 472 047 –31 2 41 4p55d 3D + 28 4p55d 3P + 18 4p55d 1D
472 338.00 472 335 3 2 89 4p56s 3P
472 520.00 472 529 –9 3 36 4p55d 3F + 35 4p55d 1F + 28 4p55d 3D
473 172.70 473 173 –1 1 61 4p56s 1P + 36 4p56s 3P
476 477.40 476 432 45 1 56 4p55d 1P + 32 4p55d 3D + 6 4p55d 3P
487 746.60 487 747 0 0 100 4p56s 3P
488 292.70 488 292 0 1 62 4p56s 3P + 38 4p56s 1P
528 422.80 528 711 –288 1 83 4p56d 3P + 15 4p56d 3D
529 161.60 529 325 –163 4 100 4p56d 3F
529 283.30 529 342 –59 2 54 4p56d 3P + 33 4p56d 3D + 11 4p56d 1D
529 299.60 529 363 –63 3 52 4p56d 3F + 44 4p56d 1F
530 119.70 529 936 183 2 51 4p56d 1D + 24 4p56d 3F + 23 4p56d 3D
530 465.50 530 165 300 3 72 4p56d 3D + 22 4p56d 1F + 5 4p56d 3F
531 839.00 531 753 86 1 56 4p56d 1P + 39 4p56d 3D
536 682.20 536 674 8 2 100 4p55g 3F
536 731.50 536 723 9 3 60 4p55g 3F + 39 4p55g 1F
536 763.90 536 761 3 2 100 4p57s 3P
536 961.40 536 976 –14 6 100 4p55g 3H
536 983.90 536 996 –12 5 53 4p55g 1H + 46 4p55g 3H
537 213.40 537 217 –4 1 64 4p57s 1P + 35 4p57s 3P
537 501.90 537 499 3 4 46 4p55g 3F + 30 4p55g 3G + 24 4p55g 1G
537 539.20 537 528 11 3 54 4p55g 3G + 29 4p55g 1F + 17 4p55g 3F
537 806.70 537 807 –1 4 39 4p55g 1G + 31 4p55g 3G + 30 4p55g 3H
537 816.50 537 820 –3 5 70 4p55g 3G + 15 4p55g 3H + 14 4p55g 1H
546 323.00 546 325 –2 1 46 4p56d 3D + 41 4p56d 1P + 12 4p56d 3P
552 258.20 552 265 –7 0 100 4p57s 3P
552 521.10 552 515 6 1 64 4p57s 3P + 35 4p57s 1P
552 878.20 552 884 –6 4 66 4p55g 3H + 26 4p55g 1G + 5 4p55g 3G
552 894.50 552 889 5 4 50 4p55g 3F + 34 4p55g 3G + 11 4p55g 1G
552 894.70 552 905 –10 5 38 4p55g 3H + 32 4p55g 1H + 30 4p55g 3G
552 933.50 552 923 11 3 46 4p55g 3G + 31 4p55g 1F + 23 4p55g 3F
568 040.00 567 226 814 1 74 4p57d 3P + 10 4p57d 3D + 10 4s4p65p 3P
570 779.30 570 772 7 2 100 4p56g 3F
570 828.20 570 823 5 3 63 4p56g 3F + 37 4p56g 1F
570 946.50 570 957 –11 6 100 4p56g 3H
570 967.60 570 977 –9 5 53 4p56g 1H + 47 4p56g 3H
571 271.70 571 267 4 4 44 4p56g 3F + 31 4p56g 3G + 25 4p56g 1G
571 306.30 571 301 5 3 55 4p56g 3G + 31 4p56g 1F + 13 4p56g 3F
571 376.00 571 674 –298 1 64 4p58s 1P + 34 4p58s 3P
571 443.60 571 444 0 4 40 4p56g 1G + 32 4p56g 3G + 28 4p56g 3H
571 452.20 571 454 –2 5 71 4p56g 3G + 14 4p56g 3H + 14 4p56g 1H
573 776.00 573 860 –84 1 59 4s4p65p 3P + 19 4p44d5p 3P + 9 4p57d 3P
583 420.00 584 144 –724 1 44 4p57d 3D + 37 4p57d 1P + 14 4p57d 3P
586 704.90 586 704 0 4 55 4p56g 3F + 22 4p56g 3G + 22 4p56g 1G
586 718.20 586 718 0 4 71 4p56g 3H + 15 4p56g 3G + 13 4p56g 1G
586 734.50 586 735 –1 5 39 4p56g 3H + 33 4p56g 1H + 28 4p56g 3G
586 882.00 586 588 294 1 65 4p58s 3P + 34 4p58s 1P
591 916.00 591 916 0 1 66 4p59s 1P + 34 4p59s 3P
605 118.00 605 118 0 1 66 4p510s 1P + 34 4p510s 3P

Notes. Energies are given in cm-1.

(b)

This work.

(c)

Only the first three components that are larger than 5% are given.

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