Comment on "Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces"

被引：40

作者：

Mattsson, Ann E. ^{[1
]}

Armiento, Rickard ^{[2
]}

Mattsson, Thomas R. ^{[1
]}

机构：

[1] Sandia Natl Labs, Albuquerque, NM 87185 USA

[2] Univ Bayreuth, Inst Phys, D-95440 Bayreuth, Germany

来源：

PHYSICAL REVIEW LETTERS | 2008年 / 101卷 / 23期

关键词：

D O I：

10.1103/PhysRevLett.101.239701

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A Comment on the Letter by John P. Perdew , Phys. Rev. Lett. 100, 136406 (2008). The authors of the Letter offer a Reply.

引用

页数：1

共 6 条

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Armiento, R ;

Mattsson, AE .

PHYSICAL REVIEW B, 2003, 68 (24)

[2] Functional designed to include surface effects in self-consistent density functional theory [J].

Armiento, R ;

Mattsson, AE .

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[4] The AM05 density functional applied to solids [J].

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Kresse, Georg ;

Wills, John M. ;

Mattsson, Thomas R. .

JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (08)

[5] Restoring the density-gradient expansion for exchange in solids and surfaces [J].

Perdew, John P. ;

Ruzsinszky, Adrienn ;

Csonka, Gabor I. ;

Vydrov, Oleg A. ;

Scuseria, Gustavo E. ;

Constantin, Lucian A. ;

Zhou, Xiaolan ;

Burke, Kieron .

PHYSICAL REVIEW LETTERS, 2008, 100 (13)

[6] Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems [J].

Ropo, M. ;

Kokko, K. ;

Vitos, L. .

PHYSICAL REVIEW B, 2008, 77 (19)

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