ORTHOGONALIZED LINEAR COMBINATIONS OF ATOMIC ORBITALS - APPLICATION TO CALCULATION OF ENERGY-BANDS OF SIIII

被引:75
作者
CHING, WY [1 ]
LIN, CC [1 ]
机构
[1] UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
来源
PHYSICAL REVIEW B | 1975年 / 12卷 / 12期
关键词
D O I
10.1103/PhysRevB.12.5536
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:5536 / 5544
页数:9
相关论文
共 37 条
[1]   BAND-STRUCTURE OF SI III AND GE III [J].
ALBEN, R ;
WEAIRE, D ;
THORPE, MF ;
GOLDSTEIN, S .
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 1972, 53 (02) :545-+
[2]   ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1. [J].
BONIFACIC, V ;
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2779-2786
[3]   SELF-CONSISTENT CALCULATION OF ENERGY-BANDS IN FERROMAGNETIC NICKEL [J].
CALLAWAY, J ;
WANG, CS .
PHYSICAL REVIEW B, 1973, 7 (03) :1096-1103
[4]  
CALLAWAY J, 1972, COMPUTATIONAL METHOD, P512
[5]   ENERGY BAND STRUCTURE OF LITHIUM FLUORIDE CRYSTALS BY METHOD OF TIGHT BINDING [J].
CHANEY, RC ;
LAFON, EE ;
LIN, CC .
PHYSICAL REVIEW B, 1971, 4 (08) :2734-&
[6]   APPLICATION OF GAUSSIAN-TYPE ORBITALS FOR CALCULATING ENERGY BAND STRUCTURES OF SOLIDS BY METHOD OF TIGHT BINDING [J].
CHANEY, RC ;
TUNG, TK ;
LIN, CC ;
LAFON, EE .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (01) :361-&
[7]   APPLICATION OF METHOD OF TIGHT BINDING TO CALCULATION OF ENERGY BAND STRUCTURES OF DIAMOND, SILICON, AND SODIUM CRYSTALS [J].
CHANEY, RC ;
LIN, CC ;
LAFON, EE .
PHYSICAL REVIEW B, 1971, 3 (02) :459-&
[8]  
CHANEY RC, 1974, INT J QUANTUM CHEM, V8, P465
[9]   INTERBAND OPTICAL CONDUCTIVITY OF POTASSIUM [J].
CHING, WY ;
CALLAWAY, J .
PHYSICAL REVIEW LETTERS, 1973, 30 (10) :441-443
[10]   ENERGY-BANDS, OPTICAL CONDUCTIVITY, AND COMPTON PROFILE OF SODIUM [J].
CHING, WY ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1975, 11 (04) :1324-1328