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：

JOURNAL OF COMPUTATIONAL PHYSICS | 1977年 / 23卷 / 01期

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

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[4]

CASE FC, TO BE PUBLISHED

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[6]

COX SB, 1973, THESIS U TEXAS

[7] SELF-CONSISTENT PROCEDURE FOR LINEAR-COMBINATION-OF-ATOMIC-ORBITALS METHOD - APPLICATION TO LIF [J].

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FRY, JL .

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[8] HARTREE-FOCK CALCULATIONS FOR CRYSTALLINE NE AND LIF [J].

EUWEMA, RN ;

WEPFER, GG ;

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WILHITE, DL .

PHYSICAL REVIEW B, 1974, 9 (12) :5249-5256

[9] GENERAL CRYSTALLINE HARTREE-FOCK FORMALISM - DIAMOND RESULTS [J].

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[10]

Ewald PP, 1921, ANN PHYS-BERLIN, V64, P253

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