NON-LINEAR IONIC PSEUDOPOTENTIALS IN SPIN-DENSITY-FUNCTIONAL CALCULATIONS

被引:2097
作者
LOUIE, SG [1 ]
FROYEN, S [1 ]
COHEN, ML [1 ]
机构
[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
来源
PHYSICAL REVIEW B | 1982年 / 26卷 / 04期
关键词
D O I
10.1103/PhysRevB.26.1738
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:1738 / 1742
页数:5
相关论文
共 19 条
[1]  
Bacon G.E., 1975, NEUTRON DIFFRACTION, V3rd ed.
[2]   PSEUDOPOTENTIAL PANACEA [J].
COHEN, ML .
PHYSICS TODAY, 1979, 32 (07) :40-&
[3]   CONTRIBUTION TO COHESIVE ENERGY OF SIMPLE METALS - SPIN-DEPENDENT EFFECT [J].
GUNNARSSON, O ;
LUNDQVIST, BI ;
WILKINS, JW .
PHYSICAL REVIEW B, 1974, 10 (04) :1319-1327
[4]   NORM-CONSERVING PSEUDOPOTENTIALS [J].
HAMANN, DR ;
SCHLUTER, M ;
CHIANG, C .
PHYSICAL REVIEW LETTERS, 1979, 43 (20) :1494-1497
[5]   EXPLICIT LOCAL EXCHANGE-CORRELATION POTENTIALS [J].
HEDIN, L ;
LUNDQVIS.BI .
JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1971, 4 (14) :2064-&
[6]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[7]   MOMENTUM-SPACE FORMALISM FOR THE TOTAL ENERGY OF SOLIDS [J].
IHM, J ;
ZUNGER, A ;
COHEN, ML .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (21) :4409-4422
[8]  
IHM J, 1980, J PHYS C SOLID STATE, V13, P3095, DOI 10.1088/0022-3719/13/16/516
[9]   NON-SINGULAR ATOMIC PSEUDOPOTENTIALS FOR SOLID-STATE APPLICATIONS [J].
KERKER, GP .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1980, 13 (09) :L189-L194
[10]  
Kittel C, 1976, INTRO SOLID STATE PH, V8