Nonlinear polarizabilities of atoms from their ground-state densities

被引:7
作者
Banerjee, A [1 ]
Harbola, MK [1 ]
机构
[1] Ctr Adv Technol, Laser Programme, Indore 452013, India
关键词
D O I
10.1007/s100530050092
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Using density based perturbation theory [M.K. Harbola, A. Banerjee, Phys. Lett. A 222, 315 (1996)], we calculate the static hyperpolarizabilty gamma for spherical atoms and ions from their ground-state densities. Since densities are being employed, calculations are performed using approximate functionals for the kinetic and the exchange-correlation energies. Use of densities-instead of the wavefunctions or Kohn-Sham orbitals-reduces the computational effort substantially. The results obtained are within 5%-15% of those calculated from the corresponding orbital-based calculations.
引用
收藏
页码:265 / 269
页数:5
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