AB-INITIO CALCULATIONS OF PI-ELECTRON HAMILTONIAN - SINGLET-TRIPLET SPLITTINGS

被引：32

作者：

IWATA, S

FREED, KF

机构：

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

[2] UNIV CHICAGO,JEAN FRANCK INST,CHICAGO,IL 60637

来源：

CHEMICAL PHYSICS LETTERS | 1974年 / 28卷 / 02期

关键词：

D O I：

10.1016/0009-2614(74)80045-X

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

收藏

页码：176 / 178

页数：3

相关论文

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[3] TOWARDS AN AB-INITIO DETERMINATION OF ALL PARAMETERS WHICH APPEAR IN SEMIEMPIRICAL QUANTUM CHEMICAL THEORIES
FREED, KF
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[4] DERIVATION OF EXACT PI-ELECTRON HAMILTONIAN
FREED, KF
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[5] OPEN-SHELL GENERALIZED PERTURBATION-THEORY
FREED, KF
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FREED, KF
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[7] THEORETICAL FOUNDATIONS OF PURELY SEMIEMPIRICAL QUANTUM CHEMISTRY .3. REPULSION INTEGRALS
FREED, KF
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[8] FREED KF, 1973, ENERGY STRUCTURE REA, P374
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