A Scheme for Calculating Atomic Structures beyond the Spherical Approximation

• 作者: Katsuhiko Higuchi Masahiko Higuchi Mitiyasu Miyasita
• 来源期刊: 现代物理(英文)
• 学科: 数学
• 关键词: Nonspherical Distribution Of ELECTRONS SPHERICAL APPROXIMATION ORBITAL Polarization Atomic Structure Carbon ATOM
• 年，卷（期）: xdwlyw_2011,（5）
• 页码范围: 421-430
• 页数: 10页
• 分类号: O1

摘要

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 P3PP in the LS-multiplet theory. This means that the nonspherical effect may play an essential role on the description of the magnetization caused by the orbital polarization.