A Scheme for Calculating Atomic Structures beyond the Spherical Approximation

 Mitiyasu Miyasita1, Katsuhiko Higuchi2, Masahiko Higuchi3

 Abstract  

We present a scheme for calculating atomic single-particle wave functions and spectra with taking into ac-count 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.

 

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