A general technique will be outlined which provides a systematic means for fitting polyatomic potential energy surfaces. Use is made of both ab initio energy and gradient data to fit the surface about an N-dimensional reference curve connecting stationary points. The reference curve may be modified iteratively during the course of the fitting. A particular iteration will specify a new set of points which need to be calculated to improve the accuracy of the surface. An application of this method to a model potential energy surface is discussed.
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Jasien et al. (1988) studied this question.
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