Table 4 Ten selected W2024 energy levels deviating by more than 0.1 cm−1 from their W2020 counterparts.

From: The W2024 database of the water isotopologue \({{\rm{H}}}_{2}^{\,16}{\rm{O}}\)

Assignment

Rovibrational energy/cm−1

Source of the best incident line

Theory74

W2024

W20208

W2024

W20208 (comment on best line)

(0 6 0)71,7

9 539.20

9 539.185 77(69)

9 539.368 7(18)[–0.18]

23KoMiKaCa68

14ReOuMiWa225

(deleted)

(0 6 0)71,6

9 714.54

9 714.490 67(86)

9 714.758 8(18)[–0.27]

23KoMiKaCa68

14ReOuMiWa225

(reassigned)

(0 6 0)112,9

10 826.06

10 825.988 1(10)

10 826.152 2(33)[–0.16]

22SoPeSoDe65

05CoBeCaCo180

(deleted, bmult)

(0 9 0)52,3

13 894.80

13 894.760 9(30)

13 895.032 4(40)[–0.27]

22VaMiCa66

08CaMiLi200

(reassigned)

(0 4 2)70,7

14 025.94

14 025.951 1(30)

14 026.309 3(18)[–0.36]

22VaMiCa66

08ToTe203

(reassigned)

(0 4 2)63,3

14 228.79

14 228.816 3(30)

14 229.149 9(40)[–0.33]

22VaMiCa66

08CaMiLi200

(reassigned)

(4 0 0)106,4

15 539.41

15 539.547 6(30)

15 539.209 1(80)[0.34]

22VaMiCa66

11BeMiCa208

(deleted)

(2 2 1)132,12

15 615.18

15 615.198 4(30)

15 615.497 2(40)[–0.30]

22VaMiCa66

08CaMiLi200

(deleted, typo)

(2 0 2)112,9

15 788.77

15 788.944 0(30)

15 789.218 7(80)[–0.27]

22VaMiCa66

11BeMiCa208

(deleted)

(3 0 1)117,5

15 905.13

15 905.325 7(30)

15 904.862(18)[0.46]

22VaMiCa66

08ZoShOvPo204

(deleted, bmult)

  1. aThe rovibrational energies, tabulated in columns 2–4, are extracted from the POKAZATEL74, W2024, and W20208 energy lists. In all cases, the POKAZATEL energies agree better with the W2024 estimates than with the W2020 ones. The values in parentheses represent last-two-digit uncertainties, whereas those in brackets are energy shifts characterizing the W2020 energies. In the last two columns, each state is associated with the source of its most accurate line in the W2024 and W2020 databases. As the comments in the last column suggest, the lines yielding the incorrect W2020 energies were either deleted or reassigned in W2024. In the last column, ‘typo’ indicates that the problematic 08CaMiLi200 entry probably contains a typographical error, while ‘bmult’ denotes that the lines leading to the incorrect W2020 energies form part of ‘bad’ (spurious) multiplets.
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