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Another commonly used labeling scheme for the vibrational states of water is based on the normal mode notation (1-2-3). The correlation between local mode and normal mode notation for the states we studied is given here for completeness: |4,0-→ T (301); |4,0-|2→ T (321); |5,0-→ T (401); |8,0+→ T (800)
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Alternatively, the relevant rotational constants can be extrapolated from the accurately known constants of the ground-and first excited-states. This gives fairly good results for Gxz/2: respectively 1.28, 1.28, 1.59, and 2.55 for |40-, |40-2, |50-, and |80+. The results for {A, B, C} are less satisfactory: respectively, {23.90, 13.91, 8.65}, {31.60, 14.23, 8.35}, {22.90, 13.75, 8.50}, and {19.92, 13.29, 8.03}
-
Alternatively, the relevant rotational constants can be extrapolated from the accurately known constants of the ground-and first excited-states. This gives fairly good results for Gxz/2: respectively 1.28, 1.28, 1.59, and 2.55 for |40-, |40-2, |50-, and |80+. The results for {A, B, C} are less satisfactory: respectively, {23.90, 13.91, 8.65}, {31.60, 14.23, 8.35}, {22.90, 13.75, 8.50}, and {19.92, 13.29, 8.03}.
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