Calculations on the 2S ground states of some members of the Li I isoelectronic series.

Abstract

Extensive variational calculations using Hylleraas-type functions are carried out on the $^{2}\mathrm{S}$ ground states for the following members of the Li i isoelectronic series: Li i, B iii, C iv, N v, O vi, F vii, and Neviii. For each species, the nonrelativistic energy, the electronic density at the nucleus, the specific mass shift, the transition isotope shift, the Fermi contact interaction, the diamagnetic susceptibility, the nuclear magnetic shielding factor, moments of 〈${r}_{i}^{n}$〉 for n=-1, 1, 2, and 3 and of 〈${r}_{\mathrm{ij}}^{n}$〉 for n=-1, 1, and 2 are reported. The nonrelativistic energies obtained are lower than any previously published values for each member of the Lii series examined. The effect of one versus two spin eigenfunctions in the basis set is examined. The rates of convergence for both the one- and two-spin-eigenfunction basis sets are examined for each expectation value.