4.0 Article

Concept of the Pauli potential in density functional theory

期刊

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
卷 943, 期 1-3, 页码 77-82

出版社

ELSEVIER SCIENCE BV
DOI: 10.1016/j.theochem.2009.10.030

关键词

Differential virial theorem; Force-balance; Correlation

资金

  1. BOF-NOI

向作者/读者索取更多资源

After a brief summary of early work introducing the concept of the Pauli potential, it is here considered in some detail in the context of the differential virial theorem and the closely related force-balance equation. Specific applications are cited for the non-relativistic Be-like series of atomic ions for arbitrary atomic number Z, and then more generally for spherically symmetric ground-state electron densities. Finally the fact that the Pauli potential has some interesting consequences in relation to the, as yet unknown, exchange-correlation energy and the corresponding potential energy is also stressed. (C) 2009 Elsevier 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。

评论

主要评分

4.0
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据