PARAMETER-FREE EXCHANGE POTENTIAL FOR EXCITATION IN THE DENSITY-FUNCTIONAL THEORY - APPLICATION TO EXCITATION-ENERGIES WITHIN THE FRACTIONAL-OCCUPATION APPROACH

被引：55

作者：

NAGY, A

机构：

[1] Institute of Theoretical Physics, Kossuth Lajos University

来源：

PHYSICAL REVIEW A | 1990年 / 42卷 / 07期

关键词：

D O I：

10.1103/PhysRevA.42.4388

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

The density-functional theory for ensembles of fractional occupation formulated by Gross, Oliveira, and Kohn [Phys. Rev. A 37, 2821 (1988)] has been applied. The excitation energies of several atoms have been determined using a parameter-free exchange potential of Gspr [Acta Phys. Hung. 35, 213 (1974)]. The calculated excitation energies are in good agreement with the experimental values. © 1990 The American Physical Society.

引用

页码：4388 / 4390

页数：3

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