TABLE I
Ca states.
Label Obs. (cm−1 ) Calc. (cm−1 )a Obs. − Calc. νS (Obs.)4s 4p
³
P
0
0 15 157.90b 1.793 4s 4p
³
P
1
0 15 210.06b 18 910.43 −3 700.36c 1.794 4s 4p
³
P
2
0 15 315.94b 19 049.50 −3 733.55c 1.797 4s 5p
³
P
0
0 36 547.69b 2.933 4s 5p
³
P
1
0 36 554.75b 36 721.77 −167.02c 2.934 4s 5p
³
P
2
0 36 575.12b 36 744.98 −169.86c 2.936 3d 4p
³
P
0
0 39 333.38b 3.317 3d 4p
³
P
1
0 39 335.32b 39 335.32 0.00 3.318 3d 4p
³
P
2
0 39 340.08b 39 340.00 0.08 3.318 4s 6p
³
P
0
0 42 514.84b 4.020 4s 6p
³
P
1
0 42 518.71b 42 518.78 −0.07 4.021 4s 6p
³
P
2
0 42 526.59b 42 527.06 −0.47 4.023 4s 7p
³
P
0
0 44 955.67b 5.022 4s 7p
³
P
1
0 44 957.65b 44 957.66 −0.01 5.024 4s 7p
³
P
2
0 44 961.76b 44 961.71 0.05 5.026 4s 8p
³
P
0
0 46 284.12 ± 0.07 6.026 4s 8p
³
P
1
0 46 285.23 ± 0.07 46 285.20 0.03 6.027 4s 8p
³
P
2
0 46 287.63 ± 0.07 46 287.47 0.16 6.030 4s 9p
³
P
1
0 47 085.38 ± 0.07 47 085.30 0.07 7.030 4s 9p
³
P
2
0 47 086.99 ± 0.07 47 086.70 0.28 7.032 4s 10p
³
P
1
0 47 604.75 ± 0.20 47 604.67 0.08 8.031 4s 10p
³
P
2
0 47 605.77 ± 0.20 47 605.60 0.18 8.034 4s 11p
³
P
1
0 47 960.87 ± 0.09 47 960.90 −0.04 9.032 4s 11p
³
P
2
0 47 961.53 ± 0.09 47 961.55 −0.02 9.034 4s 12p
³
P
1
0 48 215.81 ± 0.05 48 215.86 −0.05 10.033 4s 12p
³
P
2
0 48 216.36 ± 0.05 48 216.33 0.03 10.035 4s 13p
³
P
1
0 48 404.57 ± 0.05 48 404.61 −0.04 11.033 4s 13p
³
P
2
0 48 404.95 ± 0.05 48 404.96 −0.01 11.036 4s 14p
³
P
1
0 48 548.30 ± 0.06 48 548.25 0.05 12.034 4s 14p
³
P
2
0 48 548.51 ± 0.06 48 548.52 −0.01 12.036 4s 15p
³
P
2
0 48 660.23 ± 0.05 48 660.30 −0.07 13.036 4s 16p
³
P
2
0 48 749.04 ± 0.05 48 749.05 0.00 14.037 4s 17p
³
P
2
0 48 820.60 ± 0.02 48 820.67 −0.07 15.036 4s 18p
³
P
2
0 48 879.31 ± 0.02 48 879.32 −0.01 16.037 4s 19p
³
P
2
0 48 927.93 ± 0.03 48 927.94 −0.02 17.037 4s 20p
³
P
2
0 48 968.67 ± 0.03 48 968.70 −0.03 18.037 4s 21p
³
P
2
0 49 003.21 ± 0.03 49 003.21 0.00 19.037 4s 22p
³
P
2
0 49 032.70 ± 0.03 49 032.68 0.02 20.038 4s 23p
³
P
2
0 49 058.02 ± 0.03 49 058.05 −0.03 21.037 4s 24p
³
P
2
0 49 080.04 ± 0.03 49 080.04 0.00 22.038 4s 25p
³
P
2
0 49 099.25 ± 0.03 49 099.23 0.02 23.039 4s 26p
³
P
2
0 49 116.07 ± 0.03 49 116.08 −0.01 24.037 4s 27p
³
P
2
0 49 130.94 ± 0.03 49 130.94 0.00 25.038 4s 28p
³
P
2
0 49 144.19 ±0.03 49 144.13 0.06 26.043 4s 29p
³
P
2
0 49 155.90 ± 0.02 49 155.88 0.01 27.039 4s 30p
³
P
2
0 49 166.43 ± 0.02 49 166.40 0.03 28.041 4s 31p
³
P
2
0 49 175.87 ± 0.02 49 175.85 0.02 29.041 4s 32p
³
P
2
0 49 184.37 ± 0.02 49 184.37 0.00 30.039 4s 33p
³
P
2
0 49 192.08 ± 0.02 49 192.08 0.00 31.038 4s 34p
³
P
2
0 49 199.09 ± 0.02 49 199.08 0.01 32.040 4s 35p
³
P
2
0 49 205.47 ± 0.02 49 205.45 0.02 33.041 4s 36p
³
P
2
0 49 211.34 ± 0.05 49 211.28 0.06 34.049 4s 37p
³
P
2
0 49 216.61 ± 0.02 49 216.60 0.01 35.040 4s 38p
³
P
2
0 49 221.51 ± 0.02 49 221.50 0.02 36.042 4s 39p
³
P
2
0 49 226.02 ± 0.02 49 226.00 0.03 37.044 4s 40p
³
P
2
0 49 230.13 ± 0.02 49 230.15 −0.01 38.034 4s 41p
³
P
2
0 49 234.00 ± 0.02 49 233.98 0.02 39.044 4s 42p
³
P
2
0 49 237.55 ± 0.02 49 237.54 0.02 40.043 4s 43p
³
P
2
0 49 240.81 ± 0.07 49 240.83 −0.02 41.031 4s 44p
³
P
2
0 49 243.87 ± 0.02 49 243.89 −0.02 42.031 4s 45p
³
P
2
0 49 246.74 ± 0.02 49 246.75 −0.01 43.036 4s 46p
³
P
2
0 49 249.37 ± 0.02 49 249.41 −0.04 44.025 4s 47p
³
P
2
0 49 251.87 ± 0.02 49 251.89 −0.02 45.030 4s 48p
³
P
2
0 49 254.22 ± 0.03 49 254.22 0.00 46.039 4s 49p
³
P
2
0 49 256.42 ± 0.02 49 256.39 0.03 47.050 4s 50p
³
P
2
0 49 258.45 ± 0.02 49 258.44 0.01 48.042 4s 51p
³
P
2
0 49 260.36 ± 0.03 49 260.36 0.00 49.039 4s 52p
³
P
2
0 49 262.15 ± 0.03 49 262.16 −0.01 50.032 4s 53p
³
P
2
0 49 263.85 ± 0.03 49 263.86 −0.02 51.029 4s 54p
³
P
2
0 49 265.44 ± 0.03 49 265.47 −0.02 52.024 4s 55p
³
P
2
0 49 266.99 ± 0.03 49 266.98 0.01 53.043 4s 56p
³
P
2
0 49 268.40 ± 0.03 49 268.41 −0.01 54.032 4s 57p
³
P
2
0 49 269.77 ± 0.03 49 269.76 0.00 55.042 4s 58p
³
P
2
0 49 271.01 ± 0.03 49 271.05 −0.04 56.007 4s 59p
³
P
2
0 49 272.24 ± 0.03 49 272.26 −0.02 57.02.4 4s 60p
³
P
2
0 49 273.37 ± 0.03 49 273.41 −0.04 58.001
a Calculated using MQDT parameters given in
Table VIII .
b From G. Risberg, Ark. Fys. 37, 231 (1968).
c Not inc1uded in MQDT fit.
TABLE II
Sr states.
Label Obs. (cm−1 ) Calc. (cm−1 )a Obs. − Calc. νS (Obs.)5s 5p
³
P
0
0 14 317.52b 17 812.12 −3 494.60c 1.863 5s 5p
³
P
1
0 14 504.35b 18 220.00 −3 715.65c 1.869 5s 5p
³
P
2
0 14 898.56b 19 186.91 −4 288.35c 1.880 5s 6p
³
P
0
0 33 853.52b 34 000.52 −147.00c 3.014 5s 6p
³
P
1
0 33 868.33b 34 073.68 −205.34c 3.016 5s 6p
³
P
2
0 33 973.08b 34 253.73 −280.65c 3.029 4d 5p
³
P
0
0 37 292.11b 37 292.11 0.00 3.564 4d 5p
³
P
1
0 37 302.76b 37 302.77 −0.01 3.566 4d 5p
³
P
2
0 37 336.62b 37 336.46 0.15 3.573 5s 7p
³
P
0
0 39 411.70b 39 411.62 0.08 4.102 5s 7p
³
P
1
0 39 426.47b 39 426.23 0.24 4.107 5s 7p
³
P
2
0 39 457.41b 39 458.29 −0.88 4.117 5s 8p
³
P
0
0 41 712.05 ± 0.05 41 712.43 −0.38 5.099 5s 8p
³
P
1
0 41 719.71 ± 0.05 41 720.54 −0.82 5.104 5s 8p
³
P
2
0 41 735.98 ± 0.05 41 738.49 −2.51 5.114 5s 9p
³
P
0
0 42 985.86 ± 0.07 42 985.79 0.08 6.103 5s 9p
³
P
1
0 42 990.26 ± 0.07 42 990.32 −0.07 6.107 5s 9p
³
P
2
0 42 999.79 ± 0.07 43 000.29 −0.49 6.117 5s 10p
³
P
0
0 43 758.65 ± 0.07 43 758.57 0.09 7.105 5s 10p
³
P
1
0 43 761.47 ± 0.07 43 761.35 0.12 7.110 5s 10p
³
P
2
0 43 767.58 ± 0.07 43 767.40 0.18 7.120 5s 11p
³
P
0
0 44 262.70 ± 0.07 44 262.56 0.15 8.107 5s 11p
³
P
1
0 44 264.52 ± 0.07 44 264.38 0.14 8.112 5s 11p
³
P
2
0 44 268.72 ± 0.07 44 268.33 0.39 8.122 5s 12p
³
P
0
0 44 609.51 ± 0.04 44 609.46 0.05 9.109 5s 12p
³
P
1
0 44 610.85 ± 0.04 44 610.72 0.13 9.113 5s 12p
³
P
2
0 44 613.78 ± 0.04 44 613.44 0.34 9.123 5s 13p
³
P
0
0 44 858.33 ± 0.03 44 858.42 −0.09 10.109 5s 13p
³
P
1
0 44 859.32 ± 0.03 44 859.33 −0.01 10.114 5s 13p
³
P
2
0 44 861.46 ± 0.03 44 861.29 0.18 10.124 5s 14p
³
P
0
0 45 043.18 ± 0.02 45 043.14 0.04 11.110 5s 14p
³
P
1
0 45 043.89 ± 0.02 45 043.82 0.07 11.115 5s 14p
³
P
2
0 45 045.54 ± 0.02 45 045.28 0.26 11.125 5s 15p
³
P
0
0 45 183.93 ± 0.02 45 183.97 −0.04 12.110 5s 15p
³
P
1
0 45 184.54 ± 0.02 45 184.49 0.05 12.115 5s 15p
³
P
2
0 45 185.79 ± 0.02 45 185.61 0.19 12.125 5s 16p
³
P
1
0 45 294.22 ± 0.02 45 294.21 0.01 13.115 5s 16p
³
P
2
0 45 295.21 ± 0.02 45 295.08 0.13 13.125 5s 17p
³
P
1
0 45 381.46 ± 0.03 45 381.43 0.04 14.116 5s 17p
³
P
2
0 45 382.26 ± 0.03 45 382.12 0.14 14.126 5s 18p
³
P
1
0 45 451.87 ± 0.01 45 451.91 −0.03 15.115 5s 18p
³
P
2
0 45 452.53 ± 0.01 45 452.47 0.06 15.126 5s 19p
³
P
1
0 45 509.65 ± 0.02 45 509.67 −0.02 16.116 5s 19p
³
P
2
0 45 510.20 ± 0.02 45 510.13 0.07 16.126 5s 20p
³
P
1
0 45 557.62 ± 0.02 45 557.61 0.01 17.116 5s 20p
³
P
2
0 45 558.00 ± 0.02 45 557.99 0.01 17.125 5s 21p
³
P
1
0 45 597.81 ± 0.02 45 597.83 −0.01 18.116 5s 21p
³
P
2
0 45 598.17 ± 0.02 45 598.15 0.02 18.126 5s 22p
³
P
1
0 45 631.86 ± 0.02 45 631.90 −0.04 19.115 5s 22p
³
P
2
0 45 632.15 ± 0.02 45 632.17 −0.02 19.125 5s 23p
³
P
2
0 45 661.22 ± 0.03 45 661.25 −0.03 20.124 5s 24p
³
P
2
0 45 686.25 ± 0.02 45 686.29 −0.04 21.124 5s 25p
³
P
2
0 45 707.96 ± 0.02 45 708.02 −0.06 22.122 5s 26p
³
P
2
0 45 726.94 ± 0.02 45 726.99 −0.05 23.123 5s 27p
³
P
2
0 45 743.60 ± 0.02 45 743.65 −0.05 24.122 5s 28p
³
P
2
0 45 758.33 ± 0.02 45 758.36 −0.02 25.124 5s 29p
³
P
2
0 45 771.41 ± 0.02 45 771.41 0.00 26.126 5s 30p
³
P
2
0 45 782.99 ± 0.02 45 783.05 −0.06 27.120 5s 31p
³
P
2
0 45 793.45 ± 0.02 45 793.46 −0.01 28.124 5s 32p
³
P
2
0 45 802.83 ± 0.02 45802.83 0.01 29.126 5s 33p
³
P
2
0 45 811.27 ± 0.02 45 811.27 0.00 30.125 5s 34p
³
P
2
0 45 818.91 ± 0.02 45 818.92 −0.01 31.124 5s 35p
³
P
2
0 45 825.83 ± 0.02 45 825.86 −0.03 32.121 5s 36p
³
P
2
0 45 832.16 ± 0.02 45 832.18 −0.02 33.122 5s 37p
³
P
2
0 45 837.93 ± 0.02 45 837.96 −0.03 34.121 5s 38p
³
P
2
0 45 843.22 ± 0.02 45 843.25 −0.03 35.121 5s 39p
³
P
2
0 45 848.05 ± 0.02 45 848.10 −0.05 36.115 5s 40p
³
P
2
0 45 852.56 ± 0.02 45 852.57 −0.01 37.123 5s 41p
³
P
2
0 45 856.68 ± 0.02 45 856.69 −0.01 38.122 5s 42p
³
P
2
0 45 860.54 ± 0.02 45 860.50 0.03 39.135 5s 43p
³
P
2
0 45 864.04 ± 0.02 45 864.03 0.01 40.128 5s 44p
³
P
2
0 45 867.26 ± 0.02 45 867.30 −0.04 41.113 5s 45p
³
P
2
0 45 870.30 ± 0.03 45 870.35 −0.05 42.108 5s 46p
³
P
2
0 45 873.13 ± 0.03 45 873.18 −0.05 43.106 5s 47p
³
P
2
0 45 875.77 ± 0.03 45 875.83 −0.06 44.102 5s 48p
³
P
2
0 45 878.26 ± 0.03 45 878.30 −0.03 45.112 5s 49p
³
P
2
0 45 880.56 ± 0.02 45 880.61 −0.04 46.106 5s 50p
³
P
2
0 45 882.75 ± 0.02 45 882.77 −0.02 47.115 5s 51p
³
P
2
0 45 884.82 ± 0.02 45 884.81 0.01 48.130 5s 52p
³
P
2
0 45 886.71 ± 0.02 45 886.72 −0.01 49.122 5s 53p
³
P
2
0 45 888.43 ± 0.03 45 888.51 −0.08 50.081 5s 54p
³
P
2
0 45 890.18 ± 0.02 45 890.20 −0.02 51.113 5s 55p
³
P
2
0 45 891.80 ± 0.03 45 891.80 0.00 52.128 5s 56p
³
P
2
0 45 893.28 ± 0.02 45 893.31 −0.02 53.111 5s 57p
³
P
2
0 45 894.70 ± 0.02 45 894.73 −0.03 54.103 5s 58p
³
P
2
0 45 896.01 ± 0.02 45 896.08 −0.06 55.076 5s 59p
³
P
2
0 45 897.30 ± 0.02 45 897.35 −0.05 56.084 5s 60p
³
P
2
0 45 898.50 ± 0.02 45 898.56 −0.06 57.078
a Calculated using MQDT parameters in
Table VIII .
b From
Ref. 6 .
c Not included in MQDT fit.
TABLE III
Ba
³
P
0
0 states.
Label Observed (cm−1 ) ν S (Obs.)5d 8p 41 083.92 ± 0.15 10.742 6s 16p 41 295.93 ± 0.15 12.186
TABLE IV
Ba, odd-parity, J = 1 states.
Label Obs. (cm−1 ) Calc. (cm−1 )a Obs. − Calc. νS (Obs.)6s 6p 3 P 12 636.616b 1.932 6s 6p 1 P 18 060.264b 2.140 5d 6p 3 D 24 192.057b 23 381.5 −853c 2.480 5d 6p 3 P 25 704.14b 25 828.1 −114c 2.592 5d 6p 1 P 28 554.257b 28 554.04 0.21 2.853 6s 7p 3 P 30 815.562b 30 815.80 −0.24 3.127 6s 7p 1 P 32 547.076b 32 547.40 −0.32 3.401 6s 8p 3 P 35 669.00 ± 0.20 35 669.60 −0.60 4.152 6s 8p 1 P 35 892.52b 35 892.45 0.07 4.227 5d 7p 3 D 36 495.62 ± 0.10 36 495.62 0.00 4.451 5d 7p 3 P 36 989.98 ± 0.10 36 989.98 0.00 4.664 6s 9p 1 P 37 775.28 ± 0.06 37 776.06 −0.78 5.076 6s 9p 3 P 37 936.87 ± 0.08 37 935.58 1.29 5.175 5d 7p 1 P 38 500.29 ± 0.09 38 500.44 −0.15 5.572 6s 10p 3 P 39 160.21 ± 0.15 39 159.41 0.80 6.178 6s 10p 1 P 39 311.95 ± 0.15 39 310.36 1.59 6.348 5d 4f (d ) 39 893.48 ± 0.07 39 893.45 0.03 7.159 6s 11p 3 P 39 916.35 ± 0.07 39 916.24 0.11 7.197 6s 11p 1 P 39 982.14 ± 0.07 39 980.79 1.35 7.312 6s 12p 3 P 40 395.60 ± 0.07 40 396.04 −0.44 8.182 6s 12p 1 P 40 428.68 ± 0.06 40 427.41 1.27 8.266 5d 4f (d ) 40 662.86 ± 0.18 40 662.86 0.00 8.943 6s 13p 3 P 40 732.01 ± 0.12 40 731.96 0.05 9.177 5d 4f (d ) 40 736.81 ± 0.15 40 736.80 0.01 9.194 6s 13p 1 P 40 765.23 ± 0.14 40 765.32 −0.09 9.297 5d 8p 3 D 40 893.76 ± 0.13 40 893.76 0.00 9.806 6s 14p 3 P 40 973.65 ± 0.07 40 973.58 0.07 10.169 6s 14p 1 P 40 991.23 ± 0.09 40 990.34 0.89 10.254 5d 8p 3 P 41 097.20 ± 0.07 41 097.18 0.02 10.818 6s 15p 3 P 41 159.83 ± 0.12 41 160.11 −0.28 11.198 6s 15p 1 P 41183.60 ± 0.06 41184.81 −1.21 11.354 6s 16p 3 P 41 296.96 ± 0.03 41 297.09 −0.13 12.195 6s 16p 1 P 41 307.88 ± 0.03 41 308.69 0.81 12.286 6s 17p 3 P 41 404.40 ± 0.03 41 404.57 −0.17 13.193 6s 17p 1 P 41 411.04 ± 0.03 41 411.67 −0.63 13.263 6s 18p 3 P 41 490.09 ± 0.02 41 490.22 −0.13 14.192 6s 18p 1 P 41 494.39 ± 0.02 41 494.48 −0.43 14.249 6s 19p 3 P 41 559.45 ± 0.03 41 559.53 −0.08 15.192 6s 19p 1 P 41 562.24 ± 0.02 41 562.53 −0.29 15.237 6s 20p 3 P 41 616.32 ± 0.02 41 616.41 −0.09 16.192 6s 20p 1 P 41 618.12 ± 0.02 41 618.32 −0.20 16.226 6s 21p 3 P 41 663.55 ± 0.03 41 663.63 −0.08 17.190 6s 21p 1 P 41 664.66 ± 0.02 41 664.82 −0.16 17.216 6s 22p 3 P 41 703.25 ± 0.02 41 703.25 0.00 18.190 6s 22p 1 P 41 703.84 ± 0.02 41 703.98 −0.14 18.206 6s 23p 1 P 41 736.80 ± 0.03 41 736.77 0.03 19.186 6s 24p 1 P 41 765.35 ± 0.02 41 765.34 0.01 20.177 6s 25p 1 P 41 789.99 ± 0.02 41 789.94 0.05 21.168 6s 26p 1 P 41 811.34 ± 0.02 41 811.30 0.04 22.155 6s 26p 3 P 41 812.03 ± 0.06 41 812.19 −0.16 22.190 6s 27p 1 P 41 830.03 ± 0.02 41 829.96 0.06 23.144 6s 27p 3 P 41 830.94 ± 0.04 41 830.97 −0.03 23.196 6s 28p 1 P 41 846.48 ± 0.04 41 846.38 0.10 24.133 6s 28p 3 P 41 847.45 ± 0.04 41 847.47 −0.02 24.195 6s 29p 1 P 41 860.99 ± 0.05 41 860.89 0.10 25.120 6s 29p 3 P 41 862.03 ± 0.04 41 862.05 −0.02 25.195 6s 30p 1 P 41 873.88 ± 0.02 41 873.79 0.10 26.106 6s 30p 3 P 41 874.97 ± 0.04 41 875.00 −0.03 26.195 6s 31p 1 P 41 885.39 ± 0.03 41 885.29 0.10 27.092 6s 31p 3 P 41 886.48 ± 0.04 41 886.54 −0.06 27.191 6s 32p 1 P 41 895.70 ± 0.03 41 895.61 0.09 28.077 6s 32p 3 P 41 896.85 ± 0.04 41 896.87 −0.02 28.194 6s 33p 1 P 41 905.03 ± 0.03 41 904.89 0.14 29.068 6s 33p 3 P 41 906.12 ± 0.04 41 906.17 −0.05 29.191 6s 34p 1 P 41 913.39 ± 0.02 41 913.28 0.11 30.052 6s 34p 3 P 41 914.55 ± 0.04 41 914.55 0.00 30.196 6s 35p 1 P 41 921.00 ± 0.02 41 920.88 0.12 31.039 6s 35p 3 P 41 922.13 ± 0.04 41 922.14 −0.01 31.195 6s 36p 1 P 41 927.90 ± 0.03 41 927.79 0.11 32.025 6s 36p 3 P 41 929.02 ± 0.04 41 929.04 −0.02 32.194 6s 37p 1 P 41 934.18 ± 0.02 41 934.09 0.09 33.008 6s 37p 3 P 41 935.34 ± 0.04 41 935.32 0.02 33.200 6s 38p 1 P 41 939.95 ± 0.02 41 939.85 0.10 33.996 6s 38p 3 P 41 940.99 ± 0.04 41 941.06 −0.07 34.184 6s 39p 1 P 41 945.20 ± 0.02 41 945.14 0.06 34.977 6s 39p 3 P 41 946.27 ± 0.05 41 946.32 −0.05 35.187 6s 40p 1 P 41 950.07 ± 0.04 41 949.99 0.08 35.967 6s 40p 3 P 41 951.10 ± 0.04 41 951.14 −0.04 36.187 6s 41p 1 P 41 954.55 ± 0.02 41 954.47 0.08 36.956 6s 41p 3 P 41 955.62 ± 0.06 41 955.59 0.03 37.204 6s 42p 1 P 41 958.68 ± 0.02 41 958.60 0.08 37.944 6s 43p 1 P 41 962.43 ± 0.04 41 962.43 0.00 38.913 6s 43p 3 P 41 963.48 ± 0.04 41 963.47 0.01 39.198 6s 44p 1 P 41 966.03 ± 0.02 41 965.97 0.06 39.917 6s 45p 1 P 41 969.32 ± 0.02 41 969.26 0.06 40.906 6s 46p 1 P 41 972.36 ± 0.02 41 972.33 0.03 41.889 6s 47p 1 P 41 975.21 ± 0.02 41 975.18 0.03 42.877 6s 48p 1 P 41 977.87 ± 0.02 41 977.85 0.02 43.866 6s 49p 1 P 41 980.35 ± 0.02 41 980.34 0.01 44.852 6s 50p 1 P 41 982.71 ± 0.02 41 982.68 0.03 45.855 6s 51p 1 P 41 984.90 ± 0.02 41 984.86 0.04 46.848 6s 52p 1 P 41 986.94 ± 0.02 41 986.92 0.02 47.834 6s 53p 1 P 41 988.89 ± 0.02 41 988.85 0.04 48.837 6s 54p 1 P 41 990.68 ± 0.02 41 990.67 0.01 49.816 6s 55p 1 P 41 992.40 ± 0.02 41 992.38 0.02 50.814
a Calculated using MQDT parameters in
Table XIV .
b From
Ref. 7 .
c Not included in MQDT fit.
d Russell-Saunders notation is not appropriate for the 5
d 4
f states. See
Table XVI for proper labelling.
TABLE V
Ba
³
P
2
0 states.
Label Obs. (cm−1 ) Calc. (cm−1 )a Obs. − Calc. νS (Obs.)6s 11p 39 930.79 ± 0.19 39 922.22 8.57b 7.222 6s 12p 40 406.67 ± 0.19 40 406.76 −0.09 8.210 6s 13p 40 741.76 ± 0.17 40 741.66 0.10 9.212 6s 14p 40 982.86 ± 0.15 40 982.82 0.04 10.213 6s 15p 41 162.15 ± 0.15 41 162.25 −0.10 11.213 6s 16p 41 299.33 ± 0.15 41 299.38 −0.05 12.214 6s 17p 41 406.53 ± 0.15 41 406.53 0.00 13.215 6s 18p 41 491.80 ± 0.04 41 491.85 −0.05 14.215 6s 19p 41 560.83 ± 0.03 41 560.90 −0.07 15.214 6s 20p 41 617.51 ± 0.03 41 617.55 0.04 16.215 6s 21p 41 664.60 17.215a 6s 22p 41 704.09 18.213a 6s 23p 41 737.39 ± 0.03 41 737.46 −0.07 19.205 perturberc 41 759.93 ± 0.03 41 759.95 −0.02 19.977 6s 24p 41 767.32 ± 0.03 41 767.36 −0.04 20.251 6s 25p 41 791.29 ± 0.03 41 791.32 −0.03 21.224 6s 26p 41 812.66 ± 0.03 41 812.69 −0.03 22.221 6s 27p 41 831.38 ± 0.03 41 831.40 −0.02 23.221 6s 28p 41 847.80 ± 0.03 41 847.84 −0.04 24.218 6s 29p 41 862.37 ± 0.03 41 862.38 −0.01 25.220 6s 30p 41 875.26 ± 0.03 41 875.29 −0.03 26.218 6s 31p 41 886.78 ± 0.03 41 886.80 −0.02 27.219 6s 32p 41 897.11 ± 0.03 41 897.11 0.00 28.221 6s 33p 41 906.36 ± 0.03 41 906.38 −0.02 29.218 6s 34p 41 914.71 ± 0.03 41 914.74 −0.03 30.216 6s 35p 41 922.30 ± 0.03 41 922.31 −0.01 31.218 6s 36p 41 929.18 ± 0.03 41 929.19 −0.01 32.218 6s 37p 41 935.44 ± 0.03 41 935.46 −0.02 33.216 6s 38p 41 941.18 ± 0.03 41 941.19 −0.01 34.218 6s 39p 41 946.41 ± 0.03 41 946.43 −0.02 35.215 6s 40p 41 951.25 ± 0.03 41 951.25 0.00 36.220 6s 41p 41 955.67 ± 0.03 41 955.69 −0.02 37.216 6s 42p 41 959.76 ± 0.03 41 959.78 −0.02 38.216 6s 43p 41 963.56 ± 0.03 41 963.56 0.00 39.220 6s 44p 41 967.05 ± 0.03 41 967.06 −0.01 40.216 6s 45p 41 970.43 ± 0.11 41 970.31 0.12 41.257 6s 46p 41 973.32 ± 0.03 41 973.34 −0.02 42.214 6s 47p 41 97,6.09 ± 0.06 41 976.15 −0.06 43.197 6s 48p 41 978.76 ± 0.03 41 978.78 −0.02 44.212 6s 49p 41 981.21 ± 0.03 41 981.24 −0.03 45.209 6s 50p 41 983.45 ± 0.05 41 983.53 −0.08 46.183 6s 51p 41 985.67 ± 0.03 41 985.68 −0.01 47.213 6s 52p 41 987.69 ± 0.04 41 987.70 −0.01 48.212 6s 53p 41 989.54 ± 0.04 41 989.60 −0.06 49.186 6s 54p 41 991.38 ± 0.04 41 991.39 −0.01 50.215
a Calculated using MQDT parameters in
Table XVII .
b Not included in MQDT fit.
c This state is tentatively labelled 5
d 8
p
³
P
2
0 . See text in Sec. IV E.
TABLE VI
Ba
³
F
2
0 states.
Label Obs. (cm−1 ) νS (Obs.)6s 9f 40 613.87 ± 0.18 8.788 6s 10f 40 895.14 ± 0.15 9.812 6s 11f 41 100.72 ± 0.22 10.838 6s 12f 41 251.16 ± 0.34 11.833 6s 17f 41 647.85 ± 0.03 16.838 6s 18f 41 689.80 ± 0.03 17.832 6s 19f 41 725.39 ± 0.03 18.830 6s 20f 41 755.48 ± 0.03 19.817 6s 21f 41 782.02 ± 0.03 20.831 6s 22f 41 804.59 ± 0.03 21.828 6s 23f 41 824.30 ± 0.03 22.827 6s 24f 41 841.63 ± 0.04 23.828 6s 25f 41 856.85 ± 0.04 24.826
TABLE VII
Ba 1 G 4 states.
Label Obs. (cm−1 )a νS (Obs.)6s 12g 41 265.70 11.94 6s 13g 41 379.93 12.94 6s 14g 41 470.46 13.94 6s 15g 41 543.82 14.95 6s 17g 41 652.59 16.94 6s 18g 41 693.99 17.94 6s 19g 41 729.31 18.95 6s 21g 41 784.65 20.94 6s 22g 41 806.88 21.94 6s 23g 41 826.33 22.94 6s 24g 41 843.49 23.94 6s 25g 41 858.51 24.94 6s 26g 41 871.78 25.94 6s 27g 41 883.73 26.94 6s 29g 41 903.89 28.94 6s 30g 41 912.54 29.95 6s 31g 41 920.27 30.94 6s 32g 41 927.40 31.95 6s 34g 41 939.58 33.93 6s 35g 41 945.04 34.95 6s 36g 41 949.94 35.94 6s 38g 41 958.70 37.95 6s 40g 41 966.12 39.94 6s 41g 41 969.41 40.94 6s 42g 41 972.55 41.95 6s 43g 41 975.43 42.96 6s 44g 41 978.14 43.97 6s 45g 41 980.62 44.96 6s 46g 41 982.96 45.97 6s 47g 41 985.17 46.98 6s 48g 41 987.24 47.98 6s 49g 41 989.16 48.98 6s 51g 41 992.62 50.94 6s 52g 41 994.26 51.96 6s 53g 41 995.87 53.02 6s 54g 41 997.23 53.97 6s 55g 41 998.64 55.01 6s 56g 41 999.84 55.95 6s 57g 42 001.08 56.97 6s 58g 42 002.31 58.03 6s 59g 42 003.42 59.04 6s 60g 42 004.35 59.93 6s 62g 42 006.31 61.96 6s 63g 42 007.23 62.97 6s 64g 42 008.22 64.13 6s 65g 42 008.95 65.03 6s 66g 42 009.76 66.06 6s 67g 42 010.43 66.97 6s 68g 42 011.30 68.18
a This data was extracted from a single spectral scan with an estimated accuracy of ± 0.34 cm
−1 .
TABLE VIII
Two-Channel MQDT parameters for Ca and Sr.
Ca Sr Ionization IS 49 305.99 cm−1 45 932.19 cm−1 Limit ID 63 016.93 cm−1 60 628.26 cm−1
¹
P
1
0 μ 1 0.965 9(1)a + 0.213(1)dE b 0.892 2(2) + 0.257 8(7)dE μ 2 0.566 13(1) 0.490 66(4) U 21 0.557 69(7) 0.576 5(2)
³
P
0
0 μ 1 … 0.900 0(3) + 0.266 (8)dE μ 2 … 0.810 4(7) U 21 … 0.444 (4)
³
P
1
0 μ 1 0.972 5(5) + 0.24(1)dE 0.896 1(5) + 0.25(1)dE μ 2 0.838 0(7) 0.810 (1) U 21 0.31(1) 0.411 (6)
³
P
2
0 μ 1 0.971(1) + 0.24(2)dE 0.887 (2) + 0.20(3)dE μ 2 0.838 (2) 0.810 (3) U 21 0.31(3) 0.42(2)
a Probable error in last digit shown in parentheses.
b Linearly energy-dependent eigendefect where
dE = (
IS −
E )/
IS .
TABLE IX
MQDT labels for five-channel fit to Ba J = 1, odd.
i, ᾱ = 1 2 3 4 5 |i 〉 = [2 S 1/2 ]p 1/2 [2 S 1/2 ]p 3/2 [2 D 3/2 ]p 1/2 [2 D 3/2 ]p 3/2 [2 D 5/2 ]p 3/2 Ii = 42 034.9 42 034.9 46 908.99 46 908.99 47 709.96 cm−1 |ᾱ 〉 = 6snp 3 P 6snp 1 P 5dnp 3 D 5dnp 3 P 5dnp 1 P
TABLE X
Interaction angles used to generate V matrix and which couple an ᾱ channel to an α channel.
ᾱ
α = 12 3 4 5 1 Θ1 Θ2
Θ
_
3 Θ4 2
Θ
_
5
Θ
_
6
Θ
_
7 3 Θ8 Θ9 4 Θ10 5
TABLE XI
Five-channel MQDT parameters for Ba J = 1, odd.
α = 1 2 3 4 5 μα = 0.808 9(06)a 0.791 4(15) 0.702 7(11) 0.699 5(22) 0.504 9(13) dμα /dE = 0.270 1(31) 0.198 (11) 0.303 0(53) 0.071 (11) −0.293 6(46)
U
i
ᾱ
0 (2/3)1/2 −(1/3)1/2 0 0 0 (1/3)1/2 (2/3)1/2 0 0 0 0 0 (1/2)1/2 − (1/6)1/2 (1/3)1/2 0 0 2(1/10)1/2 4(1/30)1/2 −(1/15)1/2 0 0 −(1/10)1/2 3(1/30)1/2 3(1/15)1/2 Θ3 = 0.214 5(65) couples sp 3 P to “dp ” 3 P Θ5 = 0.356 7(75) couples sp 1 P to “dp ” 3 D Θ6 = 0.173 (12) couples sp 1 P to “dp ” 3 P Θ7 = 0.571 4(31) couples sp 1 P to “dp ” 1 P d Θ7 /dE = 0.741 (16)energy-dependent couplingb
a Probable error in last two digits shown in parentheses.
b Since Θ
7 depends on energy, so does
Vᾱα , and we cannot usefully display
Vᾱα here. See
Ref. 23 for the generation of
Vᾱα from successive rotations.
TABLE XII
MQDT labels for eight-channel fit to Ba J = 1, odd.
i, ᾱ = 1 2 3 4 5 6 7 8 |i 〉 = [2 S 1/2 ]p 1/2 [2 S 1/2 ]p 3/2 [2 D 3/2 ]p 1/2 [2 D 3/2 ]P 3/2 [2 D 3/2 ]f 5/2 [2 D 5/2 ]p 3/2 [2 D 5/2 ]f 5/2 [2 D 5/2 ]f 7/2 Ii = 42 034.90 42 034.90 46 908.99 46 908.99 46 908.99 47 709.96 47 709.96 47 709.96 |ᾱ 〉 = 6snp 3 P 6snp 1 P 5dnp 3 D 5dnp 3 P 5dnp 1 P 5ndf 3 D 5dnf 3 P 5dnf 1 P
TABLE XIII
Interaction angles in eight-channel case.
α =“sp ” “dp ” “df ” 1 2 3 4 5 6 7 8 ᾱ sp
1 Θ1 Θ2
Θ
_
3 Θ4 Θ5
Θ
_
6
Θ
_
7 2
Θ
_
8
Θ
_
9
Θ
_
10 Θ11 Θ12
Θ
_
13
TABLE XIV
Eight-channel MQDT parameters for Ba J = 1, odd.
α = 1 2 3 4 5 6 7 8 μα = 0.808 8a 0.785 0 0.705 4 0.703 4 0.503 7 0.015 3 0.048 4 0.059 3 dμa /dE = 0.271 5 0.274 9 0.260 1 0.051 7 −0.305 6 0 0 0 (2/3)1/2 −(1/3)1/2 0 0 0 0 0 0 (1/3)1/2 (2/3)1/2 0 0 0 0 0 0 0 0 (1/2)1/2 −(1/6)1/2 (1/3)1/2 0 0 0
U
i
ᾱ
0 = 0 0 2(1/10)1/2 4(1/30)1/2 −(1/15)1/2 0 0 0 0 0 0 0 0 (2/5)1/2 −(1/5)1/2 (2/5)1/2 0 0 −(1/10)1/2 3(1/30)1/2 3(1/15)1/2 0 0 0 0 0 0 0 0 4(1/35)1/2 3(2/35)1/2 −(1/35)1/2 0 0 0 0 0 −(1/7)1/2 (2/7)1/2 2(1/7)1/2 Θ3 = 0.2218 couples sp 3 P to “dp ” 3 P Θ6 = −0.0101 couples sp 3 P to “df ” 3 P Θ7 = 0.0588 couples sp 3 P to “df ” 1 P Θ8 = 0.3824 couples sp 1 P to”dp ” 3 D Θ9 = 0.2013 couples sp 1 P to “dp ” 3 P Θ10 = 0.5766 couples sp 1 P to “dp ” 1 P Θ13 = 0.1347 couples sp 1 P to “df ” 1 P d Θ10 /dE = 0.765 6energy-dependent coupling
a Probable errors are comparable to those in
Table XI .
TABLE XV
Fractional admixtures into heavily mixed states (Zᾱ )2 .
Energy ᾱ → Label sp dp 3 P 1 P 3 D 3 P 1 P 28 554.257 5d 6p 1 P 0.003 0.496 0.107 0.021 0.349 32 547.076 6s 7p 1 P 0.000 0.715 0.014 0.003 0.240 35 892.52 6s 8p 1 P 0.007 0.802 0.023 0.001 0.160 36 495.62 5d 7p 3 P 0.001 0.079 0.855 0.036 0.066 36 989.98 5d 7p 3 P 0.021 0.024 0.016 0.928 0.016 37 775.28 6s 9p 1 P 0.001 0.632 0.089 0.016 0.271 38 500.29 5d 7p 1 P 0.000 0.549 0.043 0.002 0.388 39 311.95 6s 10p 1 P 0.000 0.918 0.002 0.000 0.077 40 893.76 5d 8p 3 D 0.000 0.106 0.764 0.021 0.086 41 097.2 5d 8p 3 P 0.054 0.301 0.000 0.554 0.068
TABLE XVI
Fractional admixtures into states perturbed by 5d 4f .
Energy Label sp df (ᾱ → 3 P 1 P )
(
i
→
3 5
2 2
5 5
2 2
5 7
2 2
) 39 893.48
5
d
4
f
3 5
2 2 0.424 0.045 0.521 0.003 0.003 39 916.35 6s 11p 3 P 0.568 0.068 0.357 0.001 0.001 40 662.86
5
d
4
f
5 7
2 2 0.007 0.077 0.002 0.097 0.789 40 732.01 6s 13p 3 P 0.802 0.011 0.002 0.178 0.002 40 736.81
5
d
4
f
5 5
2 2 0.168 0.361 0.004 0.423 0.003
TABLE XVII
Two-channel MQDT parameters for Ba
³
P
2
0 .
α = 1 2 μα = 0.780 7(3)a 0.383 05(2) dμα /dE = 0.25(1) 0 U 21 = 0.033 36(7) Ionization limit IS = 42 034.88(1) Id = 46 908.99
a Probable error in last digit shown in parentheses.
TABLE XVIII
One-channel QDT parameters for Ba 1 G 4 .
μ = 0.058(2)a dμ/dE = −0.1(1) IS = 42 034.93(2)
a Probable error in last digit shown in parentheses.
TABLE XIX
Comparison of two-channel MQDT parameters.
Ca Sr Ba μ 1 a 0.99 0.93 0.83 μ 2 b 0.57 0.49 0.43
¹
P
1
0 Δ = μ 1 − μ 2 0.42 0.44 0.40
μ
¯
=
(
μ
1
+
μ
2
)
/
2 0.78 0.71 0.63 U 21 0.56 0.58 0.58 μ 1 a 0.03 0.94 0.91c μ 2 b 0.84 0.81 0.73c
³
P
1
0 Δ 0.19 0.13 0.18
μ
¯ 0.94 0.88 0.82 U 21 0.31 0.41 0.21d
a μ 1 refers to the
msnp channel with
m = 4, 5 and 6 for Ca, Sr and Ba respectively.
b μ 2 refers to the (m − 1)
dnp channel.
c These values are extracted from
Table XI .
d This value is generated from the rotation angle Θ
3 in
Table XI .