METHODS FOR CONVERGING OPEN-SHELL HARTREE-FOCK WAVE-FUNCTIONS

被引：349

作者：

GUEST, MF ^{[1
]}

SAUNDERS, VR ^{[1
]}

机构：

[1] ATLAS COMP LAB,DIDCOT OX11 0QY,ENGLAND

来源：

MOLECULAR PHYSICS | 1974年 / 28卷 / 03期

关键词：

D O I：

10.1080/00268977400102171

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：819 / 828

页数：10

共 12 条

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[3]

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[6] THE DENSITY MATRIX IN SELF-CONSISTENT FIELD THEORY .3. GENERALIZATIONS OF THE THEORY [J].

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[7]

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MCWEENY R, 1964, MOLECULAR ORBITALS C

[9] SELF-CONSISTENT FIELD THEORY FOR OPEN SHELLS OF ELECTRONIC SYSTEMS [J].

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[10] LEVEL-SHIFTING METHOD FOR CONVERGING CLOSED SHELL HARTREE-FOCK WAVE-FUNCTIONS [J].

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INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (04) :699-705

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