A Scheme for Calculating Atomic Structures beyond the Spherical Approximation

We present a scheme for calculating atomic single-particle wave functions and spectra with taking into account the nonspherical effect explicitly. The actual calculation is also performed for the neutral carbon atom within the Hartree-Fock-Slater approximation. As compared with the conventional atomic structure of the spherical approximation; the degenerate energy levels are split partially. The ground state values of the total orbital and spin angular momenta are estimated to be both about unity; which corresponds to the term 3P in the LS-multiplet theory. This means that the nonspherical effect may play an essential role in the description of the magnetization caused by the orbital polarization.ArticleJournal of Modern Physics. 2(5):421-430 (2011)journal articl