Variational Calculations of Some S States in Two-Electron Atoms

Publisher Website
Google Scholar
Abstract
Nonrelativistic energies of the 21S and 23S states of He, Li+, and Be++ and the 31S and 33S states of He and Li+ were calculated by the Rayleigh—Ritz variational method, using expansions in r1, r2, and r12 as originally employed by Coolidge and James. Mass polarization corrections and 〈δ(r2)〉 have also been evaluated. For states for which values of relativistic and electromagnetic shifts are available, the energies calculated with 31‐term expansions, after correction for these shifts and for nuclear motion, differ from experimental values by about 2 or 3 cm—1 for singlet and about 0.4 cm—1 for triplet states. The relative effectiveness of expansions involving one, two, or three exponential parameters is discussed. A search was made for a bound 23S state of H— but no indication of the existence of such a state was found.

This publication has 24 references indexed in Scilit: