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
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
收藏
页码:1963 / 1966
页数:4
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