Abstract
The potential energy surface for the electronic ground state of the water molecule is optimized by means of a variational procedure using the exact vibrational Hamiltonian in the bond length-bond angle coordinates. In the optimization, Jensen's potential energy function (J. Mol. Spectry. 133 (1989) 438) is taken as the starting point andthe recently observed band origins below 22000 cm −1 given by Rothman and co-workers (J. Quantum Spectry. Radiative Transfer 48 (1992) 469) are involved. The standard deviation of this fitting for the 70 vibrational levels is 1.171 cm −1.
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