ISOELECTRONIC MOLECULES

We have used the molecular virial theorem together with the fact that the potential energy for a series of isoelectronic molecules is a homogeneous function of the nuclear charges to show that the electronic energies of isoelectronic molecules, e.g. H2+, He2+3, Li2+5,... are related in a simple way. That is, if the electronic energy for H2+is a known function of R, i.e., g(R), then the energies for the other members of the sequence are Z2g(ZR) where Z is the nuclear charge. The method is extended to heteronuclear as well as multi-electronic molecules. © 1969 Springer-Verlag.