APPLICATION OF GEOMETRIC APPROXIMATION TO CALCULATION OF RING-CURRENT PROPERTIES

被引：9

作者：

ROBERTS, HGF ^{[1
]}

机构：

[1] GLAMORGAN POLYTECH,DEPT MATH & COMP SCI,LLANTWIT ROAD,PONTYPRIDD,WALES

来源：

THEORETICA CHIMICA ACTA | 1974年 / 33卷 / 03期

关键词：

D O I：

10.1007/BF00551261

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：269 / 273

页数：5

共 25 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] PERTURBATION THEORY FOR ATOMIC SYSTEMS [J].

DALGARNO, A .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1959, 251 (1265) :282-290

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

DIERCKSEN, G ;

MCWEENY, R .

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

[9] GAUGE INVARIANCE OF HARTREE-FOCK APPROXIMATION [J].

EPSTEIN, ST .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (08) :2897-&

[10] IMPROVEMENT OF UNCOUPLED HARTREE-FOCK EXPECTATION VALUES FOR PHYSICAL PROPERTIES .2. [J].

EPSTEIN, ST ;

JOHNSON, RE .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (07) :2275-&

← 1 2 3 →