Results of calculations of atomic wave functions III—results for Be, Ca and Hg

Abstract

In two previous papers, results of calculations of approximate atomic fields and way functions, carried out to a fairly high degree of numerical accuracy by the method of the "self-consistent field," have been presented. This paper gives similar results for the normal states of three other atoms, namely, Be, Ca, and Hg, both neutral and doubly ionized. In all these cases, the "self-consistent field" calculation has been carried out both for the ion and for the neutral atom; it has not been assumed that the "core" formed by the doubly ionized atom is unperturbed by the addition of the two "valency" electrons, but the perturbation of the core on addition of the two valency electrons has been taken into account, as far as this is possible on the "self-consistent field" approximation to a many-electron atom. This perturbation is quite appreciable, especially for Hg, for which the outermost group, (5 d ) 10 , of the core is very sensitive to perturbing influences; for Ca, for which the core is inert-gas-like and has its outermost group, (3 p ) 6 , comparatively tightly bound, this perturbation was expected to be quite small; it was actually found to be a good deal larger than was expected.