Testing molecular potential functions with bifurcation diagrams of periodic orbits

Author: Farantos S.C.   Zachilas L.  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.80, Iss.6, 1993-12, pp. : 1499-1505

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Abstract

An evaluation of the performance of a molecular potential energy function in dynamical calculations can be obtained by constructing bifurcation diagrams of periodic orbits. This is demonstrated for the HCN molecule by using two analytical potential functions which give a global and a local representation of the surface respectively.