UNCOUPLED HARTREE-FOCK PERTURBATION-THEORY FOR DENSITY MATRIX - SECOND-ORDER PROPERTIES OF CONJUGATED MOLECULES

被引：17

作者：

LAZZERETTI, P ^{[1
]}

机构：

[1] UNIV MODENA, IST CHIM ORG, VIA CAMPI 183, 41100 MODENA, ITALY

来源：

MOLECULAR PHYSICS | 1974年 / 28卷 / 06期

关键词：

D O I：

10.1080/00268977400102671

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：1389 / 1395

页数：7

共 33 条

[1] FEENBERG-GOLDHAMMER PROCEDURE AND GEOMETRIC APPROXIMATION IN HARTREE-FOCK PERTURBATION THEORY [J].

AMOS, AT .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (02) :603-&

[2] UNCOUPLED HARTREE-FOCK CALCULATIONS OF RING-CURRENT CONTRIBUTION TO MAGNETIC SUSCEPTIBILITIES OF CONJUGATED MOLECULES [J].

AMOS, AT ;

ROBERTS, HGF .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (06) :2375-&

[3] A COMMENT ON APPLICATION OF HARTREE-FOCK PERTURBATION THEORY TO PI-ELECTRON SYSTEMS [J].

AMOS, AT ;

MUSHER, JI .

MOLECULAR PHYSICS, 1967, 13 (06) :509-&

[4] SELF-CONSISTENT PERTURBATION THEORY FOR CONJUGATED MOLECULES .I. GENERAL THEORY AND METHOD OF CALCULATION [J].

AMOS, AT ;

HALL, GG .

THEORETICA CHIMICA ACTA, 1966, 5 (02) :148-&

[5] BOUNDS FOR HARTREE-FOCK PERTURBATION-THEORY [J].

BURROWS, BL .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (02) :345-355

[6] COUPLED AND UNCOUPLED HARTREE-FOCK CALCULATIONS OF RING CURRENTS AND PROTON CHEMICAL-SHIFTS - AROMATIC CHARACTER OF 5 MEMBERED HETEROCYCLES [J].

CORRADI, E ;

LAZZERETTI, P ;

TADDEI, F .

MOLECULAR PHYSICS, 1973, 26 (01) :41-47

[7]

DALGARNO A, 1959, P R SOC A, V232, P267

[8]

DALGARNO A, 1966, PERTURBATION THEORY, P145

[9] SELF-CONSISTENT PERTURBATION THEORY .I. GENERAL FORMULATION AND SOME APPLICATIONS [J].

DIERCKSEN, G ;

MCWEENY, R .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) :3554-+

[10] MOLECULAR-ORBITAL THEORY OF MAGNETIC SHIELDING AND MAGNETIC SUSCEPTIBILITY [J].

DITCHFIELD, R .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5688-+

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