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We present an analysis of the complex of water with CO which includes (a) a new potential energy surface obtained by fitting ab initio points, followed by adjustment against experimental rotational, spin–spin and quadrupole coupling constants; (b) diffusion Monte Carlo (DMC) studies of the ground vibrational state, and of three excited vibrational states, at J=0. A new approach is suggested for DMC calculation of intermolecular vibrational frequencies.
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Sandler et al. (1996) studied this question.
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