Abstract
By using the full Watson Hamiltonian and a variational technique, the lower-lying vibrational state energies (J = 0) of H2O, HDO, D2O, HTO, DTO, and T2O are calculated from a high-level ab initio potential energy surface. The basis functions are products of one-dimensional harmonic oscillator functions. Comparison is made with experiment, and also with results obtained from different theoretical techniques. © 1992 John Wiley & Sons, Inc.
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