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双电离铜(Cu III)的构型计算

Calculations of Configurations of Doubly Ionized Copper (Cu III).

作者信息

Sugar J, Martin W C

机构信息

Institute for Basic Standards, National Bureau of Standards, Washington, D.C. 20234.

出版信息

J Res Natl Bur Stand A Phys Chem. 1976 May-Jun;80A(3):465-476. doi: 10.6028/jres.080A.052. Epub 1976 Jun 1.

Abstract

The energy levels belonging to the configurations 3 4 and 3 ( = 4, 5, 4 5, 4 5 4, and 5) have been calculated. The radial energy integrals were treated as parameters and adjusted to give a least-squares fit to the observed levels. Two- and three-body effective electrostatic interactions for equivalent electrons were included, as well as two-body effective interactions for inequivalent electrons. Strong configuration interaction between 3 4 and 3 4 was taken into account. Values of the parameters are given for all the above configurations, and the calculated levels are given for all except 3 4 and 3 4 (for which essentially equivalent results have been published). Leading eigenvector percentages are given in appropriate coupling schemes.

摘要

已计算出属于组态3⁴和3ⁿ(n = 4、5、4⁵、4⁵⁴和5)的能级。径向能量积分被视为参数,并进行调整以与观测能级进行最小二乘拟合。其中包括了等价电子的两体和三体有效静电相互作用,以及非等价电子的两体有效相互作用。还考虑了3⁴和3⁴之间的强组态相互作用。给出了上述所有组态的参数值,除了3⁴和3⁴(已发表了基本等效的结果)之外,给出了所有计算能级。在适当的耦合方案中给出了主要本征向量百分比。

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本文引用的文献

1
The Third Spectrum of Copper (Cu iii).铜(Ⅲ)的第三光谱
J Res Natl Bur Stand A Phys Chem. 1975 May-Jun;79A(3):497-521. doi: 10.6028/jres.079A.014.
3
The Configurations 3 4 in Doubly Ionized Atoms of the Iron Group.铁族双电离原子中的组态3和4
J Res Natl Bur Stand A Phys Chem. 1968 Sep-Oct;72A(5):505-520. doi: 10.6028/jres.072A.043.

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