Relativistic energies of excited states of atoms and ions of the second period

Abstract

Relativistic energies are computed for a series of j states corresponding to 1s²2s^m2pⁿ (0?m?2; 0?n?6) configurations by solution of the hartree-fock-dirac equations. The j states calculated are those states whose eigenfunctions within a configuration correspond to a unique and maximum eigenvalue of the operator j². In addition, average relativistic energies are obtained for all configurations considered. The two sets of results are compared, and in certain cases (for the 1s²2p, 1s²2p⁵, 1s²2s²2p, 1s²2s²2p⁵ configurations) permit a determination of multiplet splittings (e(²p₁2/-²p₃2/)). The results of these splittings are in excellent agreement with available experimental data. The present results also tend to confirm the assumption that the relativistic energy contributions for the j averaged ls states are the same for all states arising from the same configuration. This makes it possible to evaluate the relativistic energies of all states belonging to the configurations of interest to this paper. These in turn serve to re-evaluate more correctly recently obtained correlation energies for the same states.