The variation of spectroscopic properties with numbers of electrons

Abstract

A formalism that describes the variation of the spectroscopic properties, D,, R,, and k,, of homonuclear, diatomic molecules, with the number of molecular electrons has been developed. The theory describes the interrelation of these properties and predicts "critical" behavior in sequences of "isonuclear" and neutral molecules. Detailed calculations are possible with the help of experimental data in lieu of a deeper, dynamical theory of molecular behavior with respect to electron number. The present work points the way toward a first-principle's theory. Q 1992 JohnWiley & Sons, Inc.