ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
A redetermination of the quartic force field of the water molecule surface has been recently calculated by the method of Hoy, Mills, and Strey. A novel form of the bending coordinate has been introduced into this force field to ensure that the pure bending potential has the correct form at θ=π, and a few select force constant have been rerefined to the J=0 vibrational spectrum of H2O. The vibrational–rotational energy levels of the resulting surface have been determined by the variational method. Two particular sets have been examined: (i) low vibrational quanta, J≤9 and (ii) all levels below 12 000 cm−1 (relative to zero point), J≤2. The results are compared with the experimental levels in the literature.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.452887
