THEORETICAL-STUDY OF THE ATOMIC SPECTRA OF THE CALCIUM ATOM

被引:6
作者
BOUTALIB, A [1 ]
DAUDEY, JP [1 ]
机构
[1] UNIV CADI AYYAD,CHIM THEOR LAB,MARRAKECH,MOROCCO
关键词
D O I
10.1016/0009-2614(92)85504-4
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
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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页码:493 / 498
页数:6
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