The damping coefficients and a non-expanded multipole analysis of the exact second-order induction energy in H + 2

Author: Magnasco Valerio   Figari Giuseppe  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.60, Iss.3, 1987-02, pp. : 625-635

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Abstract

An exact analytical formula for the coefficients damping each individual multipole in the second-order induction for H + 2 is presented and the first three damping coefficients explicitly evaluated in closed form. Numerical calculation shows that the damped R - n series expansion of the induction energy always converges, the first four terms in the expansion accounting for no less than 97 per cent of the exact value over the whole range of internuclear separations.