NON-SINGULAR ATOMIC PSEUDOPOTENTIALS FOR SOLID-STATE APPLICATIONS

被引:408
作者
KERKER, GP
机构
来源
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1980年 / 13卷 / 09期
关键词
D O I
10.1088/0022-3719/13/9/004
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:L189 / L194
页数:6
相关论文
共 5 条
[1]  
CALLAWAY J, 1964, ENERGY BAND THEORY, P99
[2]   NORM-CONSERVING PSEUDOPOTENTIALS [J].
HAMANN, DR ;
SCHLUTER, M ;
CHIANG, C .
PHYSICAL REVIEW LETTERS, 1979, 43 (20) :1494-1497
[3]   EXPLICIT LOCAL EXCHANGE-CORRELATION POTENTIALS [J].
HEDIN, L ;
LUNDQVIS.BI .
JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1971, 4 (14) :2064-&
[4]   SELF-CONSISTENT ELECTRONIC-STRUCTURE OF TRANSITION-METAL SURFACES - MO(001) SURFACE [J].
KERKER, GP ;
HO, KM ;
COHEN, ML .
PHYSICAL REVIEW B, 1978, 18 (10) :5473-5483
[5]   DENSITY-FUNCTIONAL PSEUDOPOTENTIAL APPROACH TO CRYSTAL PHASE-STABILITY AND ELECTRONIC-STRUCTURE [J].
ZUNGER, A ;
COHEN, ML .
PHYSICAL REVIEW LETTERS, 1978, 41 (01) :53-56