Author： Demontis P. Gamba A. Manunza B. Suffritti G.B.
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.47, Iss.2, 1982-10, pp. : 347-354
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Abstract
An intermolecular potential function for the N 2 -H 2 O system is derived from ab initio MO calculations with a minimal basis set. An angular dependence of the functions is necessary in order to reproduce all the minima of the ab initio surface. The fitting appears satisfactory, especially for bound geometries. Some problems connected with the fitting of potential hypersurfaces are discussed.
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