Ab-initio quasiparticle energies of small sodium clusters by the GW approximation

被引：0

作者：

Ishii, S ^{[1
]}

Ohno, K ^{[1
]}

Kawazoe, Y ^{[1
]}

机构：

[1] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan

来源：

SCRIPTA MATERIALIA | 2001年 / 44卷 / 8-9期

关键词：

ab-initio; GW approximation; sodium cluster; all-electron; full-potential; electron affinity;

D O I：

10.1016/S1359-6462(01)00832-6

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The quasiparticles energies of Na2 and Na4 are analyzed by carrying out ab initio GW approximation using an all-electron mixed-basis approach. The absolute value of quasiparticle energy of these clusters is discussed. The all-electron mixed-basis approach is a natural extension of the pseudopotential approach that takes into account full the core electrons.

引用

页码：1963 / 1966

页数：4

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