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Table A.7

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

E exp a E calc b ΔE J Leading components (in %) in LS couplingc
Odd parity
0.00 0 0 1.5 97 4p52P
15 602.78 15 603 0 0.5 97 4p52P
421 257.96 421 364 –106 1.5 62 4p4(3P)5p 4P + 9 4p4(3P)5p 4S + 9 4p4(1D)5p 2P
421 991.19 421 898 93 2.5 68 4p4(3P)5p 4P + 23 4p4(3P)5p 4D
425 678.16 426 017 –339 0.5 23 4p4(3P)5p 2P + 44 4p4(3P)5p 4P + 19 4p4(1D)5p 2P
427 118.65 427 134 –15 2.5 60 4p4(3P)5p 2D + 14 4p4(3P)5p 4P + 13 4p4(3P)5p 4D
427 649.11 427 421 228 3.5 89 4p4(3P)5p 4D + 10 4p4(1D)5p 2F
434 797.76 434 744 53 0.5 39 4p4(3P)5p 4P + 22 4p4(3P)5p 4D + 18 4p4(3P)5p 2P
435 427.69 435 124 304 1.5 33 4p4(3P)5p 4D + 18 4p4(3P)5p 2P + 22 4p4(3P)5p 2D
436 859.11 436 770 89 0.5 60 4p4(3P)5p 4D + 14 4p4(3P)5p 2S + 13 4p4(3P)5p 4P
437 477.01 437 605 –128 1.5 48 4p4(3P)5p 4D + 32 4p4(3P)5p 2P + 10 4p4(1D)5p 2P
440 554.88 440 364 191 2.5 59 4p4(3P)5p 4D + 25 4p4(3P)5p 2D + 13 4p4(3P)5p 4P
442 453.66 442 488 –34 1.5 28 4p4(3P)5p 2D + 24 4p4(3P)5p 4S + 15 4p4(3P)5p 4P
444 340.07 444 700 –360 0.5 67 4p4(3P)5p 2S + 13 4p4(3P)5p 2P + 10 4p4(3P)5p 4D
444 879.34 444 961 –82 1.5 45 4p4(3P)5p 4S + 42 4p4(3P)5p 2D + 5 4p4(3P)5p 4P
449 730.72 449 653 77 2.5 83 4p4(1D)5p 2F + 8 4p4(3P)5p 2D
452 999.87 452 910 90 3.5 88 4p4(1D)5p 2F + 10 4p4(3P)5p 4D
455 878.16 455 971 –92 1.5 57 4p4(1D)5p 2P + 21 4p4(1D)5p 2D + 9 4p4(3P)5p 2P
459 077.64 459 024 54 1.5 70 4p4(1D)5p 2D + 19 4p4(3P)5p 2P + 8 4p4(1D)5p 2P
459 580.77 459 640 –60 2.5 89 4p4(1D)5p 2D
464 724.05 464 719 5 0.5 61 4p4(1D)5p 2P + 34 4p4(3P)5p 2P
482 699.28 482 631 68 0.5 78 4p4(1S)5p 2P + 9 4p4(3P)5p 2P + 7 4p4(3P)5p 4D
484 897.26 484 977 –80 1.5 41 4p4(1S)5p 2P + 29 4s4p54d 2D + 8 4p4(1D)4f 2D
Even parity
191 570.67 191 601 –30 0.5 79 4s4p62S + 21 4p4(1D)4d 2S
248 940.11 248 835 105 2.5 88 4p4(3P)4d 4D
249 322.89 249 299 24 3.5 90 4p4(3P)4d 4D + 6 4p4(3P)4d 4F
250 017.63 249 918 99 1.5 85 4p4(3P)4d 4D
251 818.70 251 917 –98 0.5 85 4p4(3P)4d 4D + 6 4p4(1D)4d 2P + 5 4p4(3P)4d 2P
261 642.90 261 178 465 4.5 89 4p4(3P)4d 4F + 10 4p4(1D)4d 2G
266 145.41 265 622 523 3.5 65 4p4(3P)4d 4F + 17 4p4(3P)4d 2F + 13 4p4(1D)4d 2G
266 278.49 267 703 –1.425 0.5 43 4p4(1D)4d 2P + 37 4p4(3P)4d 2P + 14 4p4(3P)4d 4D
271 296.05 270 956 340 1.5 60 4p4(3P)4d 4F + 12 4p4(1S)4d 2D + 10 4p4(3P)4d 4P
271 374.36 270 685 689 2.5 92 4p4(3P)4d 4F
272 091.26 272 252 –161 0.5 90 4p4(3P)4d 4P
272 834.44 273 006 –172 1.5 45 4p4(3P)4d 4P + 23 4p4(3P)4d 4F + 18 4p4(1D)4d 2P
274 665.60 274 850 –184 1.5 38 4p4(1D)4d 2D + 23 4p4(3P)4d 2D + 10 4p4(3P)4d 2P
276 491.34 276 497 –6 3.5 42 4p4(3P)4d 2F + 25 4p4(3P)4d 4F + 20 4p4(1D)4d 2G
278 742.23 278 849 –107 2.5 73 4p4(3P)4d 4P + 9 4p4(1S)4d 2D + 7 4p4(3P)4d 2F
279 457.21 280 229 –772 1.5 39 4p4(3P)4d 4P + 24 4p4(1D)4d 2P + 22 4p4(3P)4d 2P
283 112.00 283 096 16 2.5 38 4p4(1S)4d 2D + 20 4p4(3P)4d 2D + 19 4p4(3P)4d 4P
285 967.09 285 408 559 3.5 65 4p4(1D)4d 2G + 23 4p4(3P)4d 2F + 9 4p4(1D)4d 2F
286 411.50 285 745 666 4.5 89 4p4(1D)4d 2G + 10 4p4(3P)4d 4F
287 142.42 287 582 –440 2.5 61 4p4(3P)4d 2F + 20 4p4(1D)4d 2F + 11 4p4(1D)4d 2D
299 608.66 299 907 –298 2.5 76 4p4(1D)4d 2F + 12 4p4(3P)4d 2F + 9 4p4(1D)4d 2D
303 517.22 303 778 –260 3.5 80 4p4(1D)4d 2F + 16 4p4(3P)4d 2F
319 336.18 319 348 –11 1.5 62 4p4(1S)4d 2D + 25 4p4(1D)4d 2D
325 576.82 325 455 121 2.5 72 4p4(1S)4d 2D + 13 4p4(1D)4d 2D + 5 4p4(3P)4d 2F
334 694.92 334 643 52 0.5 70 4p4(1D)4d 2S + 18 4s4p62S + 5 4p4(1D)4d 2P
339 682.78 339 148 535 1.5 49 4p4(3P)4d 2P + 36 4p4(1D)4d 2P + 7 4p4(1D)4d 2D
343 709.55 344 545 –835 2.5 64 4p4(3P)4d 2D + 22 4p4(1D)4d 2D + 10 4p4(1S)4d 2D
346 345.56 345 413 932 0.5 47 4p4(3P)4d 2P + 41 4p4(1D)4d 2P + 8 4p4(1D)4d 2S
358 168.09 358 487 –319 1.5 56 4p4(3P)4d 2D + 18 4p4(1S)4d 2D + 15 4p4(1D)4d 2D
364 827.11 364 808 19 2.5 91 4p4(3P)5s 4P + 8 4p4(1D)5s 2D
369 711.65 369 710 1 1.5 51 4p4(3P)5s 2P + 38 4p4(3P)5s 4P + 10 4p4(1D)5s 2D
377 452.05 377 510 –58 0.5 90 4p4(3P)5s 4P + 9 4p4(1S)5s 2S
379 776.65 379 721 55 1.5 60 4p4(3P)5s 4P + 36 4p4(3P)5s 2P
384 781.44 384 805 –23 0.5 93 4p4(3P)5s 2P + 5 4p4(1S)5s 2S
393 555.34 393 558 –3 2.5 91 4p4(1D)5s 2D + 7 4p4(3P)5s 4P
394 195.47 394 194 1 1.5 86 4p4(1D)5s 2D + 12 4p4(3P)5s 2P
423 223.46 423 216 7 0.5 83 4p4(1S)5s 2S + 8 4p4(3P)5s 4P + 6 4p4(3P)5s 2P
514 465.31 514 326 140 2.5 71 4p4(3P)5d 4D + 10 4p4(3P)5d 4F + 9 4p4(3P)5d 4P
514 487.01 514 344 143 3.5 73 4p4(3P)5d 4D + 18 4p4(3P)5d 4F + 6 4p4(1D)5d 2F
515 170.73 515 071 100 1.5 60 4p4(3P)5d 4D + 19 4p4(3P)5d 4P + 6 4p4(1D)5d 2D
516 443.48 516 466 –22 0.5 45 4p4(3P)5d 4D + 25 4p4(3P)5d 4P + 17 4p4(3P)5d 2P
518 061.55 517 912 150 3.5 64 4p4(3P)5d 2F + 23 4p4(3P)5d 4F + 11 4p4(1D)5d 2G
521 740.06 521 926 –186 1.5 38 4p4(3P)5d 4D + 34 4p4(3P)5d 2D + 12 4p4(3P)5d 2P
522 035.99 522 139 –103 2.5 39 4p4(3P)5d 2D + 25 4p4(3P)5d 2F + 15 4p4(3P)5d 4P
528 357.52 528 376 –19 0.5 50 4p4(3P)5d 4D + 31 4p4(3P)5d 2P + 9 4p4(1D)5d 2P
528 976.13 528 735 241 1.5 69 4p4(3P)5d 4F + 11 4p4(1S)5d 2D + 11 4p4(3P)5d 4D
529 351.71 529 095 257 2.5 58 4p4(3P)5d 4F + 14 4p4(3P)5d 4P + 12 4p4(3P)5d 4D
529 945.22 529 724 222 3.5 54 4p4(3P)5d 4F + 23 4p4(3P)5d 2F + 21 4p4(3P)5d 4D
530 538.91 530 420 119 1.5 28 4p4(3P)5d 4P + 25 4p4(3P)5d 4D + 20 4p4(3P)5d 2D
532 402.86 532 261 142 2.5 52 4p4(3P)5d 4P + 29 4p4(3P)5d 2F + 11 4p4(3P)5d 4F
533 736.95 533 652 85 2.5 44 4p4(3P)5d 2D + 39 4p4(3P)5d 2F
534 552.78 534 821 –268 1.5 64 4p4(3P)5d 2P + 15 4p4(3P)5d 2D + 8 4p4(1D)5d 2P
543 295.84 543 372 –77 0.5 79 4p4(1D)5d 2S + 10 4p4(3P)5d 4P + 9 4p4(1D)5d 2P
544 423.00 544 411 12 1.5 73 4p4(1D)5d 2P + 8 4p4(3P)6s 2P + 7 4p4(3P)5d 4P
545 413.52 545 407 7 2.5 90 4p4(3P)6s 4P + 8 4p4(1D)6s 2D
545 666.07 545 943 –277 2.5 74 4p4(1D)5d 2D + 16 4p4(1D)5d 2F
547 213.94 547 484 –270 2.5 74 4p4(1D)5d 2F + 14 4p4(1D)5d 2D + 7 4p4(3P)5d 2D
547 471.92 547 470 2 1.5 63 4p4(3P)6s 2P + 20 4p4(3P)6s 4P + 8 4p4(1D)6s 2D
547 791.00 548 110 –319 0.5 66 4p4(1D)5d 2P + 23 4p4(3P)5d 2P + 7 4p4(1D)5d 2S
548 805.54 549 467 –661 1.5 78 4p4(1D)5d 2D + 18 4p4(3P)5d 2D
558 208.73 558 215 –6 0.5 86 4p4(3P)6s 4P + 12 4p4(1S)6s 2S
559 356.47 559 344 13 1.5 78 4p4(3P)6s 4P + 22 4p4(3P)6s 2P
561 050.32 561 062 –11 0.5 92 4p4(3P)6s 2P
573 101.84 572 669 433 2.5 82 4p4(1S)5d 2D
573 301.14 573 148 153 1.5 79 4p4(1S)5d 2D + 6 4p4(3P)5d 4F
574 494.88 574 600 –105 2.5 92 4p4(1D)6s 2D + 8 4p4(3P)6s 4P
574 889.14 574 785 105 1.5 89 4p4(1D)6s 2D + 8 4p4(3P)6s 2P
602 661.00 602 660 1 0.5 83 4p4(1S)6s 2S + 10 4p4(3P)6s 4P + 5 4p4(3P)6s 2P

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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