Comment on "About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error" [J. Chem. Phys. 123, 164110, 2005]

被引：96

作者：

Adamo, C

Barone, V

Bencini, A

Broer, R

Filatov, M

Harrison, NM

Illas, F

Malrieu, JP

Moreira, IDR

机构：

[1] Univ Barcelona, Dept Quim Fis, E-08028 Barcelona, Spain

[2] Ecole Natl Super Chim Paris, CNRS, UMR 7575, F-75231 Paris, France

[3] Univ Federico II Complesso Univ Monte St Angelo, Dipartimento Chim, I-80126 Naples, Italy

[4] Univ Florence, Dipartimento Chim, Polo Sci, I-50019 Florence, Italy

[5] Univ Groningen, Ctr Mat Sci, NL-9747 AG Groningen, Netherlands

[6] SERC, Daresbury Lab, CCLRC, Warrington WA4 4AD, Cheshire, England

[7] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AY, England

[8] Univ Barcelona, Dept Quim Fis, E-08028 Barcelona, Spain

[9] Univ Toulouse 3, Phys Quant Lab, IRSAMC, F-31062 Toulouse, France

来源：

JOURNAL OF CHEMICAL PHYSICS | 2006年 / 124卷 / 10期

关键词：

D O I：

10.1063/1.2178791

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页数：3

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