NEGATIVE-IONS AS DESCRIBED BY KOHN-SHAM EXCHANGE-ONLY THEORY

被引：38

作者：

YAN, L ^{[1
]}

KRIEGER, JB ^{[1
]}

IAFRATE, GJ ^{[1
]}

机构：

[1] USA, RES OFF, RES TRIANGLE PK, NC 27709 USA

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 191卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(92)85365-H

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：

Exchange-only calculations using the optimized effective potential method and the method developed recently by Krieger, Li and Iafrate are performed for negative ions of alkalis, halogens and those with incomplete 2p and 3p shells. Comparisons are made with the results of Hartree-Fock as well as with those obtained by using the method proposed by Harbola and Sahni.

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页码：38 / 46

页数：9

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