原子物理学
价(化学)
谱线
价电子
核心电子
化学
Atom(片上系统)
电子
电子相关
物理
量子力学
有机化学
计算机科学
嵌入式系统
作者
A. Boutalib,J. P. Daudey
标识
DOI:10.1016/0009-2614(92)85504-4
摘要
Theoretical calculations are reported for the following terms of the atomic spectra of the Ca atom: 1S(4s2), 1P(4s4p), 3P(4s4p), 1D(4s3d), 3D(4s3d), 1P(4s5p), 3P(4s5p). The method is based on all-electron calculations at the Hartree—Fock level followed by a configuration interaction for the two valence electrons. Core—valence (or intershell) correlation effects are introduced via a second-order perturbation development or via a core-polarization potential. The agreement with the experimental spectra is very good.
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