EXCITATION-ENERGIES IN THE LOCAL-DENSITY FUNCTIONAL THEORY

被引：30

作者：

NAGY, A

ANDREJKOVICS, I

机构：

[1] Institute of Theoretical Physics, Kossuth Lajos University, Debrecen

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1994年 / 27卷 / 02期

关键词：

D O I：

10.1088/0953-4075/27/2/002

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

The Hedin-Lundqvist, Gunnarsson-Lundqvist-Wilkins and Ceperley-Alder local density approximations parametrized by Perdew and Zunger and Vosko, Wilk and Nusair are applied to calculate the first excitation energies of several atoms in the density functional theory for unequally weighted ensembles of Gross, Oliveira and Kohn.

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页码：233 / 240

页数：8

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