期刊
PHYSICS LETTERS A
卷 284, 期 2-3, 页码 124-129出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/S0375-9601(01)00283-3
关键词
density functional theory; self-interaction correction; atomic potential partition; Hubbard-like U; exchange and correlation potential; electronic correlation
A new method for self-interaction correction in the density functional theory is given using an explicit energy functional of the density. The SI correction is locally carried out. The theory includes effects of strong correlations in form of Hubbard-like terms which create atomic plateaus in the potential. (C) 2001 Elsevier Science B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据