Nuclear cusp conditions for components of the molecular energy density relevant for density-functional theory

被引：0

作者：

March, NH ^{[1
]}

Howard, IA

Holas, A

Senet, P

Van Doren, VE

机构：

[1] Univ Antwerp, RUCA, Dept Phys, Groenenborgerlaan 171, B-2020 Antwerp, Belgium

[2] Univ Oxford, Oxford, England

[3] Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland

来源：

PHYSICAL REVIEW A | 2001年 / 63卷 / 01期

关键词：

D O I：

暂无

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Nuclear cusp conditions are obtained for the full electron-electron interaction energy density as well as for the exchange and correlation energy densities of density-functional theory. Their form is the same as the form of the well known Kato cusp condition for the electron-number density. All these cusp conditions are valid for both the ground and excited states of a molecule or solid.

引用

页数：5

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