Hydrodynamic approach to time-dependent density functional theory; Response properties of metal clusters

被引:40
作者
Banerjee, A [1 ]
Harbola, MK [1 ]
机构
[1] Ctr Adv Technol, Laser Program, Indore 452013, India
关键词
D O I
10.1063/1.1290610
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Performing electronic structure calculations for large systems, such as nanoparticles or metal clusters, via orbital based Hartree-Fock or Kohn-Sham theories is computationally demanding. To study such systems, therefore, we have taken recourse to the hydrodynamic approach to time-dependent density-functional theory. In this paper we develop a variation-perturbation method within this theory in terms of the particle and current densities of a system. We then apply this to study the linear and nonlinear response properties of alkali metal clusters within the spherical jellium background model. (C) 2000 American Institute of Physics. [S0021-9606(00)30638-9].
引用
收藏
页码:5614 / 5623
页数:10
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