THE PSEUDOPOTENTIAL-DENSITY-FUNCTIONAL METHOD IN MOMENTUM SPACE - DETAILS AND TEST CASES

被引：42

作者：

DENTENEER, PJH

VANHAERINGEN, W

机构：

来源：

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1985年 / 18卷 / 21期

关键词：

D O I：

10.1088/0022-3719/18/21/010

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

引用

页码：4127 / 4142

页数：16

共 28 条

[1] Abramowitz M., 1970, HDB MATH FNCTIONS
[2] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
BACHELET, GB
HAMANN, DR
SCHLUTER, M
[J]. PHYSICAL REVIEW B, 1982, 26 (08): : 4199 - 4228
[3] STRUCTURAL-ENERGY CALCULATIONS BASED ON NORM-CONSERVING PSEUDOPOTENTIALS AND LOCALIZED GAUSSIAN-ORBITALS
BACHELET, GB
GREENSIDE, HS
BARAFF, GA
SCHLUTER, M
[J]. PHYSICAL REVIEW B, 1981, 24 (08): : 4745 - 4752
[4] MEAN-VALUE POINT IN BRILLOUIN ZONE
BALDERESCHI, A
[J]. PHYSICAL REVIEW B, 1973, 7 (12) : 5212 - 5215
[5] NEW APPROACH FOR SOLVING THE DENSITY-FUNCTIONAL SELF-CONSISTENT-FIELD PROBLEM
BENDT, P
ZUNGER, A
[J]. PHYSICAL REVIEW B, 1982, 26 (06): : 3114 - 3137
[6] SPECIAL POINTS IN BRILLOUIN ZONE
CHADI, DJ
COHEN, ML
[J]. PHYSICAL REVIEW B, 1973, 8 (12): : 5747 - 5753
[7] ELECTRONIC-STRUCTURE OF SILICON
CHELIKOWSKY, JR
COHEN, ML
[J]. PHYSICAL REVIEW B, 1974, 10 (12): : 5095 - 5107
[8] 1ST-PRINCIPLES LINEAR COMBINATION OF ATOMIC ORBITALS METHOD FOR THE COHESIVE AND STRUCTURAL-PROPERTIES OF SOLIDS - APPLICATION TO DIAMOND
CHELIKOWSKY, JR
LOUIE, SG
[J]. PHYSICAL REVIEW B, 1984, 29 (06): : 3470 - 3481
[9] NORM-CONSERVING PSEUDOPOTENTIALS
HAMANN, DR
SCHLUTER, M
CHIANG, C
[J]. PHYSICAL REVIEW LETTERS, 1979, 43 (20) : 1494 - 1497
[10] HEINE V, 1970, SOLID STATE PHYS, V24, P37