Analytical asymptotic structure of the Kohn-Sham exchange potential at a metal surface

被引：19
|
作者：
Solomatin, A [1 ]
Sahni, V [1 ]
机构：
[1] CUNY GRAD SCH & UNIV CTR, NEW YORK, NY 10036 USA
来源：
PHYSICAL REVIEW B | 1997年 / 56卷 / 07期
关键词：
D O I：
10.1103/PhysRevB.56.3655
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
In a recent paper we presented the analytical asymptotic structure of the Kohn-Sham exchange potential in the classically forbidden region at a metal-vacuum interface. This result is valid for self-consistently determined orbitals of the semi-infinite jellium and structureless-pseudopotential models of a metal surface. In this paper we provide the details of our derivation. The correctness of the analytical derivation is further substantiated through numerical work.
引用
收藏
页码：3655 / 3658
页数：4
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