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. 2023 Jun 14;127(25):5299–5311. doi: 10.1021/acs.jpca.3c00018

Table 5. Spectroscopic Constants of the Excited States without and with Spin–Orbit Effect of Cs–Kr System.

state Re (a0) De (cm–1) Te (cm–1) ωe (cm–1) ωexe (cm–1) Be (cm–1) ref
A2Π (6p) 7.36 406 11219 32.92 1.06 0.021609 this work
A2Π1/2 (6p) 7.31 375 10881 34.80 1.07 0.021894 this work
    300         (15)
  7.46 163   35.1     (35)
  7.20 112         (16)
A2Π3/2 (6p) 7.38 406 11410 32.27 0.92 0.021494 this work
    350         (15)
  7.52 283   38.3     (35)
  7.20 439         (16)
B2Σ+ (6p) 13.45 56 11569 4.74 0.91 0.022881 this work
B2Σ1/2+ (6p) 12.84 52 12844 5.65 1.18 0.031568 this work
  16.2 17.1         (16)
32Σ+ (5d) 14.60 35 14592 3.91 0.11 0.005495 this work
32Σ1/2+ (5d) 13.65 41 14633 4.88 0.23 0.006282 this work
22Π (5d) 11.16 74   6.84 0.37 0.009402 this work
22Π1/2 (5d) 11.08 70 14534 7.21 0.83 0.009516 this work
    300         (15)
  7.46 163   35.1     (35)
22Π3/2 (5d) 11.14 74 14573 9.02 0.77 0.009437 this work
    350         (15)
12Δ (5d) 7.31 700 13927 39.02 0.79 0.021895 this work
    350         (15)
  7.37 441   46.2     (35)
12Δ3/2 (5d) 7.32 657 13887 39.02 0.81 0.021890 this work
12Δ5/2 (5d) 7.31 700 13966 39.01 0.81 0.021902 this work
42Σ+ (7s) 7.47 461 18154 27.98 0.91 0.020985 this work
  8.22 322   22.3     (35)
52Σ+ (7p) 7.11 599 21433 43.71 0.92 0.023160 this work
52Σ1/2+ (7p) 7.15 624 21499 42.44 0.83 0.022927 this work
32Π (7p) 7.24 741 21292 38.79 0.69 0.022331 this work
32Π1/2 (7p) 7.24 699 21153 39.02 0.73 0.022375 this work
32Π3/2 (7p) 7.26 734 21390 38.63 0.69 0.022231 this work
62Σ+ (6d) 7.41 220 22662 26.23 2.12 0.021341 this work
42Π (6d) 7.56 670 22212 37.02 0.68 0.020485 this work
22Δ (6d) 7.11 859 22023 44.78 0.81 0.023164 this work
72Σ+ (8s) 7.27 658 23775 36.34 0.84 0.022181 this work