AB-INITIO CALCULATION OF ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES OF DIAMOND USING DISCRETE VARIATIONAL METHOD

被引：181

作者：

PAINTER, GS

ELLIS, DE

LUBINSKY, AR

机构：

来源：

PHYSICAL REVIEW B | 1971年 / 4卷 / 10期

关键词：

D O I：

10.1103/PhysRevB.4.3610

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

引用

页码：3610 / &

共 34 条

[11] Discrete variational method for the energy-band problem with general crystal potentials
Ellis, D. E.
Painter, G. S.
[J]. PHYSICAL REVIEW B-SOLID STATE, 1970, 2 (08): : 2887 - 2898
[12] ELLIS DE, 1968, INT J QUANTUM CHEM, V2, P35
[13] *UBER EINE APPROXIMATION DES HARTREEFOGKSCHEN POTENTIALS DURCH EINE UNIVERSELLE POTENTIALFUNKTION
GASPAR, R
[J]. ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1954, 3 (3-4): : 263 - 286
[14] CALCULATION OF BAND STRUCTURE AND OPTICAL CONSTANTS OF DIAMOND USING NONLOCAL-PSEUDOPOTENTIAL METHOD
HEMSTREET, LA
FONG, CY
COHEN, ML
[J]. PHYSICAL REVIEW B-SOLID STATE, 1970, 2 (06): : 2054 - +
[15] Herman F., 1963, ATOMIC STRUCTURE CAL
[16] HERMAN F, 1967, INT J QUANTUM CHEM, V1, P533
[17] A new method for calculating wave functions in crystals
Herring, C
[J]. PHYSICAL REVIEW, 1940, 57 (12): : 1169 - 1177
[18] BAND STRUCTURE OF SILICON FROM AN ADJUSTED HEINE-ABARENKOV CALCULATION
KANE, EO
[J]. PHYSICAL REVIEW, 1966, 146 (02): : 558 - +
[19] ENERGY BANDS IN DIAMOND
KEOWN, R
[J]. PHYSICAL REVIEW, 1966, 150 (02): : 568 - &
[20] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS
KOHN, W
SHAM, LJ
[J]. PHYSICAL REVIEW, 1965, 140 (4A): : 1133 - &