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.