Calculation of ground and excited states for atoms with an open f-shell in the Hartree-Fock-Roothaan approximation

被引：0

作者：

Malykhanov, Yu. B. ^{[1
]}

Evseev, S. V. ^{[1
]}

机构：

[1] ME Evsevev Mordovian State Pedag Inst, Saransk 430007, Russia

来源：

JOURNAL OF APPLIED SPECTROSCOPY | 2008年 / 75卷 / 06期

关键词：

atomic orbital; Hartree-Fock method; energy; atom; open shell;

D O I：

10.1007/s10812-009-9132-z

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

Application of the Roothaan-Bagus method (Hartree-Fock atomic theory) for atoms with one open f(n)-shell is considered. Energy values for lanthanide atoms in the ground and excited states are calculated by minimization methods of the first and second orders within the limits of Roothaan-Hartree-Fock atomic theory using orbital exponents of Slater-type atomic orbitals.

引用

页码：779 / 784

页数：6

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