Determination of frequency-dependent polarizabilities using current density-functional theory

被引:81
作者
Colwell, SM
Handy, NC
Lee, AM
机构
[1] University Chemical Laboratory, Cambridge, CB2 1EW, Lensfield Road
来源
PHYSICAL REVIEW A | 1996年 / 53卷 / 03期
关键词
D O I
10.1103/PhysRevA.53.1316
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A time-dependent generalization of current density-functional theory in the form introduced by by Vignale, Rasolt and Geldart [Adv. Quantum Chem. 21, 235 (1990)] is used. This theory is then applied to the case where an external harmonic electric field is present, and the changes are considered by perturbation theory. Finally, expressions for the frequency-dependent polarizabilities are derived in terms of the so-called electric and magnetic hessians. The theory is contrasted with time-dependent coupled Hartree-Fock theory; this demonstrates how the theory can he implemented.
引用
收藏
页码:1316 / 1322
页数:7
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