EXACT RELATIONS IN THE OPTIMIZED EFFECTIVE POTENTIAL METHOD EMPLOYING AN ARBITRARY EXC[(PSI-I-SIGMA)]

被引：51

作者：

KRIEGER, JB ^{[1
]}

LI, Y ^{[1
]}

IAFRATE, GJ ^{[1
]}

机构：

[1] USA,ELECTR TECHNOL & DEVICES LAB,FT MONMOUTH,NJ 07703

来源：

PHYSICS LETTERS A | 1990年 / 148卷 / 8-9期

关键词：

D O I：

10.1016/0375-9601(90)90501-E

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We show that the exact exchange-only Kohn-Sham spin polarized potential Vxσ satisfies a simple condition which leads to the generalizations of Koopman's and Janak's theorems, as well as a simple formula for the integer discontinuity in Vxσ. The generalization of these results for an arbitrary Exc[}ψiσ{] is presented. © 1990.

引用

页码：470 / 474

页数：5

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