RELATIONSHIP BETWEEN UNRESTRICTED AND PROJECTED HARTREE-FOCK METHODS IN A SIMPLE 3-ELECTRON MODEL SYSTEM

被引：14

作者：

PALDUS, J

CIZEK, J

LAFORGUE, A

机构：

[1] UNIV WATERLOO,DEPT CHEM,WATERLOO N2L 3C1,ONTARIO,CANADA

[2] UNIV REIMS,FAC SCI,MECH ONDULATOIRE APPL LAB,F-51062 REIMS,FRANCE

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1978年 / 13卷 / 01期

关键词：

D O I：

10.1002/qua.560130105

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：41 / 65

页数：25

共 28 条

[1] VALIDITY OF MANY-BODY APPROXIMATION METHODS FOR A SOLVABLE MODEL .4. DEFORMED HARTREE-FOCK SOLUTION [J].

AGASSI, D ;

LIPKIN, HJ ;

MESHKOV, N .

NUCLEAR PHYSICS, 1966, 86 (02) :321-&

[2] STABILITY CONDITIONS FOR SOLUTIONS OF HARTREE-FOCK EQUATIONS FOR ATOMIC AND MOLECULAR SYSTEMS .5. NONANALYTIC BEHAVIOR OF BROKEN-SYMMETRY SOLUTIONS AT BRANCHING POINT [J].

CIZEK, J ;

PALDUS, J .

PHYSICAL REVIEW A, 1971, 3 (02) :525-&

[3]

DANZ J, 1974, J CHEM PHYS, V61, P2977

[4] METHOD OF ALTERNANT ORBITALS FOR ALLYL [J].

DEARMAN, HH ;

LEFEBVRE, R .

JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (01) :72-&

[5] ANATOMY OF HARTREE-FOCK PROCEDURE IN A SIMPLE MODEL [J].

HARVEY, M ;

JENSEN, AS .

NUCLEAR PHYSICS A, 1971, A164 (03) :641-&

[6] UNRESTRICTED HARTREE-FOCK SOLUTIONS FOR CLOSED-SHELL MOLECULES [J].

KOUTECKY, J .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06) :2443-&

[7] STUDY OF CORRELATION EFFECTS IN A 3-ELECTRON MODEL SYSTEM USING PROJECTED HARTREE-FOCK METHOD AND NATURAL SPIN ORBITAL FORMALISM [J].

LAFORGUE, A ;

CIZEK, J ;

PALDUS, J .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (05) :2560-2571

[8] SPIN DENSITIES IN ODD ALTERNANT HYDROCARBON RADICALS [J].

LEFEBVRE, R ;

DEARMAN, HH ;

MCCONNELL, HM .

JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (01) :176-181

[9]

Lowdin P.-O., 1966, QUANTUM THEORY ATOMS, P601

[10] ON THE NON-ORTHOGONALITY PROBLEM CONNECTED WITH THE USE OF ATOMIC WAVE FUNCTIONS IN THE THEORY OF MOLECULES AND CRYSTALS [J].

LOWDIN, PO .

JOURNAL OF CHEMICAL PHYSICS, 1950, 18 (03) :365-375

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