Spin-density functionals from current-density functional theory and vice versa: A road towards new approximations

被引：75

作者：

Capelle, K

Gross, EKU

机构：

[1] Institut für Theoretische Physik, Universität Würzburg, Würzburg, D-97074, Am Hubland

来源：

PHYSICAL REVIEW LETTERS | 1997年 / 78卷 / 10期

关键词：

D O I：

10.1103/PhysRevLett.78.1872

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

It is shown that the exchange-correlation functional of spin-density functional theory is identical, on a certain set of densities, with the exchange-correlation functional of current-density functional theory. This rigorous connection is used to construct new approximations of the exchange-correlation functionals. These include a conceptually new generalized-gradient spin-density functional and a nonlocal current-density functional.

引用

页码：1872 / 1875

页数：4

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