Excited states in density functional theory

被引：0

作者：

Nagy, A ^{[1
]}

机构：

[1] Lajos Kossuth Univ, Inst Theoret Phys, H-4010 Debrecen, Hungary

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1998年 / 70卷 / 4-5期

关键词：

excited states; Kato's theorem; adiabatic connection; optimized potential method; KLI approximation;

D O I：

10.1002/(SICI)1097-461X(1998)70:4/5<681::AID-QUA14>3.3.CO;2-L

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：

Density functional theory for a single excited state is presented using Kato's theorem and the concept of adiabatic connection. The degenerate case is also detailed. The optimized potential method is generalized. The generalized Krieger, Li, and Iafrate (KLI) approximation is derived. (C) 1998 John Wiley & Sons, Inc.

引用

页码：681 / 691

页数：11

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