DOES THE HARRIS ENERGY FUNCTIONAL POSSESS A LOCAL MAXIMUM AT THE GROUND-STATE DENSITY

被引：27

作者：

ROBERTSON, IJ

FARID, B

机构：

[1] Theory of Condensed Matter, Cavendish Laboratory, Cambridge, CB3 0HE, Madingley Road

来源：

PHYSICAL REVIEW LETTERS | 1991年 / 66卷 / 25期

关键词：

D O I：

10.1103/PhysRevLett.66.3265

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We prove that for any system, and within the framework of any reasonable local approximation to the Hohenberg-Kohn-Sham exchange-correlation energy functional, the Harris energy functional possesses either a saddle point or a local minimum at the self-consistent ground-state charge density. This invalidates the common suggestion that this functional has a local maximum at this charge density. Some numerical results in support of our arguments are presented.

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页码：3265 / 3268

页数：4

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