IMPROVED PERTURBED UNCOUPLED HARTREE-FOCK (IUCHF) METHODS FOR SECOND-ORDER PHYSICAL-PROPERTIES

被引：5

作者：

EGE, G ^{[1
]}

VOGLER, H ^{[1
]}

机构：

[1] UNIV HEIDELBERG,ORG CHEM INST,D-69 HEIDELBERG,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1975年 / 31卷 / 03期

关键词：

D O I：

10.1016/0009-2614(75)85075-5

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：516 / 519

页数：4

共 16 条

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[2] UNCOUPLED HARTREE-FOCK CALCULATIONS OF RING-CURRENT CONTRIBUTION TO MAGNETIC SUSCEPTIBILITIES OF CONJUGATED MOLECULES
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ROBERTS, HGF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (06) : 2375 - &
[3] A COMMENT ON APPLICATION OF HARTREE-FOCK PERTURBATION THEORY TO PI-ELECTRON SYSTEMS
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[J]. MOLECULAR PHYSICS, 1967, 13 (06) : 509 - &
[4] CONJUGATION IN MACROCYCLIC BONDING SYSTEMS .4. CALCULATION OF NONLOCAL PART OF MAGNETIC-SUSCEPTIBILITY AND CHEMICAL-SHIFT OF SYSTEMS WITH DEGENERATE EIGENVALUES - CHEMICAL-SHIFTS OF CIRCUMPOLYACENES
EGE, G
VOGLER, H
[J]. THEORETICA CHIMICA ACTA, 1974, 35 (03): : 189 - 202
[5] FURTHER REFINEMENTS ON THE BRILLOUIN-WIGNER PERTURBATION PROCEDURE
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GOLDHAMMER, P
[J]. PHYSICAL REVIEW, 1957, 105 (02): : 750 - 755
[6] INVARIANCE PROPERTY OF THE BRILLOUIN-WIGNER PERTURBATION SERIES
FEENBERG, E
[J]. PHYSICAL REVIEW, 1956, 103 (04): : 1116 - 1119
[7] RING CURRENTS AND THEIR EFFECTS IN AROMATIC MOLECULES
HALL, GG
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[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1962, 268 (1334) : 328 - +
[8] HIRSCHFELDER JO, 1964, ADV QUANTUM CHEM, V1, P255
[9] Nishimoto K., 1957, Z PHYS CHEM FRANKFUR, V12, P335, DOI 10.1524/zpch.1957.12.5_6.335
[10] ELECTRON INTERACTION IN UNSATURATED HYDROCARBONS
POPLE, JA
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1953, 49 (12): : 1375 - 1385

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