RHF ENERGY-BAND SHAPES FOR METALLIC CHAINS - DEPENDENCE ON THE SUMMATION OF EXCHANGE CONTRIBUTIONS - AN ILLUSTRATION ON THE LINEAR-CHAIN OF HYDROGEN-ATOMS

被引：23

作者：

DELHALLE, J

DELVAUX, MH

FRIPIAT, JG

ANDRE, JM

CALAIS, JL

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 05期

关键词：

D O I：

10.1063/1.453958

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：3141 / 3146

页数：6

共 25 条

[1]

Bary N. K., 1964, TREATISE TRIGONOMETR

[2] COMPUTATION OF ELECTRONIC DENSITY OF STATES DISTRIBUTIONS OF STEREOREGULAR POLYMERS [J].

DELHALLE, J ;

DELHALLE, S .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 11 (02) :349-358

[3] MULTIPOLE EXPANSION IN TIGHT-BINDING HARTREE-FOCK CALCULATIONS FOR INFINITE-MODEL POLYMERS [J].

DELHALLE, J ;

PIELA, L ;

BREDAS, JL ;

ANDRE, JM .

PHYSICAL REVIEW B, 1980, 22 (12) :6254-6267

[4] CONVERGENCE OF LCAO DENSITY-MATRICES IN HARTREE-FOCK CALCULATIONS ON EXTENDED MODEL CHAINS [J].

DELHALLE, J .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 26 (05) :717-723

[5] DIRECT-SPACE ANALYSIS OF THE HARTREE-FOCK ENERGY-BANDS AND DENSITY OF STATES FOR METALLIC EXTENDED SYSTEMS [J].

DELHALLE, J ;

CALAIS, JL .

PHYSICAL REVIEW B, 1987, 35 (18) :9460-9466

[6] CONVERGENCE OF DIRECT SPACE EXCHANGE LATTICE SUMS IN POLYMER BAND-STRUCTURE CALCULATIONS [J].

DELHALLE, J ;

CALAIS, JL .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (09) :5286-5298

[7]

DELHALLE J, 1985, INT J QUANTUM CHEM, V22, P219

[8]

DELHALLE J, 1984, INT J QUANTUM CHEM Q, V18, P141

[9]

DELHALLE J, 1980, INT J QUANTUM CHEM S, V14, P355

[10]

DELHALLE J, 1987, INT J QUANTUM CHEM S, V21, P115

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