CONVERGENCE OF RECIPROCAL-LATTICE SUMS - EXACT FORMULAS FOR EWALD METHOD

被引：13

作者：

COX, SB ^{[1
]}

FRY, JL ^{[1
]}

机构：

[1] UNIV TEXAS,DEPT PHYS,ARLINGTON,TX 76019

来源：

关键词：

D O I：

10.1016/0021-9991(77)90086-9

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

引用

页码：42 / 52

页数：11

共 16 条

[1] SOME COMMENTS ON CONSTRUCTION OF AN ORTHONORMAL SET OF LCAO BASIS FUNCTIONS FOR CRYSTALS
AHLENIUS, T
CALAIS, JL
LOWDIN, PO
[J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1973, 6 (11): : 1896 - 1908
[2] CONVERGENCE OF RECIPROCAL-LATTICE EXPANSIONS AND SELF-CONSISTENT ENERGY-BANDS OF NAF
BRENER, NE
FRY, JL
[J]. PHYSICAL REVIEW B, 1972, 6 (10): : 4016 - &
[3] Callaway J., 1974, QUANTUM THEORY SOL B
[4] CASE FC, TO BE PUBLISHED
[5] APPLICATION OF GAUSSIAN-TYPE ORBITALS FOR CALCULATING ENERGY BAND STRUCTURES OF SOLIDS BY METHOD OF TIGHT BINDING
CHANEY, RC
TUNG, TK
LIN, CC
LAFON, EE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (01) : 361 - &
[6] COX SB, 1973, THESIS U TEXAS
[7] SELF-CONSISTENT PROCEDURE FOR LINEAR-COMBINATION-OF-ATOMIC-ORBITALS METHOD - APPLICATION TO LIF
DROST, DM
FRY, JL
[J]. PHYSICAL REVIEW B, 1972, 5 (02): : 684 - &
[8] HARTREE-FOCK CALCULATIONS FOR CRYSTALLINE NE AND LIF
EUWEMA, RN
WEPFER, GG
SURRATT, GT
WILHITE, DL
[J]. PHYSICAL REVIEW B, 1974, 9 (12): : 5249 - 5256
[9] GENERAL CRYSTALLINE HARTREE-FOCK FORMALISM - DIAMOND RESULTS
EUWEMA, RN
WILHITE, DL
SURRATT, GT
[J]. PHYSICAL REVIEW B, 1973, 7 (02): : 818 - 831
[10] Ewald PP, 1921, ANN PHYS-BERLIN, V64, P253