SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .18. CONSTRAINTS AND STABILITY IN HARTREE-FOCK THEORY

被引：670

作者：

SEEGER, R ^{[1
]}

POPLE, JA ^{[1
]}

机构：

[1] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

来源：

关键词：

D O I：

10.1063/1.434318

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：3045 / 3050

页数：6

共 12 条

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[5] UNRESTRICTED HARTREE-FOCK SOLUTIONS FOR CLOSED-SHELL MOLECULES
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[6] LOWDIN PO, 1969, ADV CHEM PHYS, P283
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[8] COMPLEX AND UNRESTRICTED HARTREE-FOCK WAVEFUNCTIONS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (07) : 2994 - &
[9] STABILITY CONDITIONS FOR SOLUTIONS OF HARTREE-FOCK EQUATIONS FOR ATOMIC AND MOLECULAR SYSTEMS .2. SIMPLE OPEN-SHELL CASE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (06) : 2919 - &
[10] Pople J. A., 1971, INT J QUANTUM CHEM, V5, P175