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.
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页码：779 / 784
页数：6
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