CALCULATION OF OPTICAL POLARIZABILITY OF ATOMS WITH TWO OPEN SHELLS IN THE HARTREE-FOCK APPROXIMATION

被引:0
|
作者
Malykhanov, Yu. B. [1 ]
Eryomkin, I. N. [1 ]
机构
[1] ME Evsevev Mordovian State Pedag Inst, Saransk 430007, Russia
关键词
time-dependent perturbation theory; optical polarizability; Huzinaga method; two open shells;
D O I
10.1007/s10812-008-9087-5
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
Time-dependent Hartree-Fock equations (the Huzinaga method) in terms of density functionals have been obtained for a multielectronic system with two open shells of different symmetry species subjected to a time-dependent external perturbation. Based on these, the equations of time-dependent "bound" perturbation theory have been written in the orbital representation. The dynamic dipole polarizability of a number of atoms with two open shells with s(1)p(n)-configurations has been calculated using an optimized basis set of Slater-type atomic orbitals.
引用
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页码:483 / 487
页数:5
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