THEORETICAL FOUNDATIONS OF PURELY SEMIEMPIRICAL QUANTUM CHEMISTRY .3. REPULSION INTEGRALS

被引：39

作者：

FREED, KF

机构：

[1] UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637

[2] UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL

来源：

CHEMICAL PHYSICS LETTERS | 1974年 / 24卷 / 02期

关键词：

D O I：

10.1016/0009-2614(74)85450-3

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：275 / 279

页数：5

共 16 条

[1]

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FREED, KF .

CHEMICAL PHYSICS LETTERS, 1972, 15 (03) :331-+

[3] DERIVATION OF EXACT PI-ELECTRON HAMILTONIAN [J].

FREED, KF .

CHEMICAL PHYSICS LETTERS, 1972, 13 (03) :181-&

[4] MANY-BODY THEORIES OF ELECTRONIC STRUCTURE OF ATOMS AND MOLECULES [J].

FREED, KF .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1971, 22 :313-&

[5]

FREED KF, TO BE PUBLISHED

[6]

FREED KF, 1973, ENERGY STRUCTURE REA

[7] THEORY OF N TO PI] TRANSITIONS [J].

HARRIS, RA ;

FALICOV, LM .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (06) :2931-&

[8] VALENCE ORBITAL BEHAVIOR DURING CHANGES IN INTERMOLECULAR SEPARATION - COMPARISON OF MODELS BASED ON EMPIRICAL UNITED ATOM THEORY AND ON SEMIEMPIRICAL CNDO/BW THEORY [J].

HOLLEBONE, BR ;

WHITEHEA.MA .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1973, 69 (05) :648-657

[9] ON DEVELOPMENT OF SEMIEMPIRICAL METHODS IN MO FORMALISM [J].

JUG, K .

THEORETICA CHIMICA ACTA, 1969, 14 (02) :91-&

[10]

KLOPMAN G, 1970, TOP CURR CHEM, V15, P477

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