HARTREE-FOCK EXCHANGE AND LCAO APPROXIMATION IN THE BAND-STRUCTURE CALCULATIONS OF SOLIDS

被引:28
作者
EVARESTOV, RA
LOVCHIKOV, VA
TUPITSIN, II
机构
来源
PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1983年 / 117卷 / 01期
关键词
D O I
10.1002/pssb.2221170146
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
引用
收藏
页码:417 / 427
页数:11
相关论文
共 22 条
[1]  
ANDRE JM, 1967, INT J QUANTUM CHEM, V1, P451
[2]  
ASHCROFT NW, 1976, SOLID STATE PHYSICS, V1, pCH8
[3]  
CALLAWAY J, 1964, ENERGY BAND THEORY, P92
[4]   SPECIAL POINTS IN BRILLOUIN ZONE [J].
CHADI, DJ ;
COHEN, ML .
PHYSICAL REVIEW B, 1973, 8 (12) :5747-5753
[5]  
CLOIZEAUX JD, 1964, PHYS REV, V135, pA685
[6]   STRUCTURE OF FERMION DENSITY MATRICES [J].
COLEMAN, AJ .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :668-&
[7]   NOTES ON THE SEMI-EMPIRICAL LUC APPROACH OF SOLIDS [J].
DEAK, P .
PHYSICS LETTERS A, 1981, 83 (01) :39-42
[8]   QUASIMOLECULAR LARGE UNIT-CELL MODEL IN THEORY OF DEEP LEVELS IN IMPERFECT CRYSTALS - POINT-DEFECTS IN GRAPHITIC BORON-NITRIDE [J].
DOBROTVO.AM ;
EVARESTO.RA .
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1974, 66 (01) :83-91
[9]   REGULAR CHEMISORPTION OF HYDROGEN ON GRAPHITE IN CRYSTALLINE ORBITAL NDO APPROXIMATION [J].
DOVESI, R ;
PISANI, C ;
RICCA, F ;
ROETTI, C .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (08) :3075-3084
[10]   LCAO SCF CRYSTALLINE ORBITAL METHOD IN CNDO APPROXIMATION [J].
DOVESI, R ;
PISANI, C ;
RICCA, F ;
ROETTI, C .
CHEMICAL PHYSICS LETTERS, 1976, 39 (01) :103-107