THEORY OF ABINITIO PSEUDOPOTENTIAL CALCULATIONS

被引:92
作者
YIN, MT [1 ]
COHEN, ML [1 ]
机构
[1] UNIV CALIF LAWRENCE LIVERMORE NATL LAB,DIV MAT & MOLEC RES,LIVERMORE,CA 94550
来源
PHYSICAL REVIEW B | 1982年 / 25卷 / 12期
关键词
D O I
10.1103/PhysRevB.25.7403
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:7403 / 7412
页数:10
相关论文
共 53 条
[1]   ADVANCES IN THEORY OF ONE-ELECTRON ENERGY-STATES [J].
ANDERSEN, OK ;
JEPSEN, O .
PHYSICA B & C, 1977, 91 (JUL) :317-328
[2]   LINEAR METHODS IN BAND THEORY [J].
ANDERSEN, OK .
PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083
[3]   STRUCTURAL-ENERGY CALCULATIONS BASED ON NORM-CONSERVING PSEUDOPOTENTIALS AND LOCALIZED GAUSSIAN-ORBITALS [J].
BACHELET, GB ;
GREENSIDE, HS ;
BARAFF, GA ;
SCHLUTER, M .
PHYSICAL REVIEW B, 1981, 24 (08) :4745-4752
[4]  
Born M., 1954, DYNAMIC THEORY CRYST
[5]  
BORN M, 1927, AM J PHYS, V84, P451
[6]  
CALLAWAY J, 1971, COMPUTATIONAL METHOD, P512
[7]   ATOMIC AND ELECTRONIC-STRUCTURES OF RECONSTRUCTED SI(100) SURFACES [J].
CHADI, DJ .
PHYSICAL REVIEW LETTERS, 1979, 43 (01) :43-47
[8]  
Cohen M. L., 1970, Solid state physics: advances in research and applications, P37, DOI 10.1016/S0081-1947(08)60070-3
[9]  
FROYEN S, UNPUB
[10]   NORM-CONSERVING PSEUDOPOTENTIALS [J].
HAMANN, DR ;
SCHLUTER, M ;
CHIANG, C .
PHYSICAL REVIEW LETTERS, 1979, 43 (20) :1494-1497