CLUSTER EXPANSION OF WAVEFUNCTION - PSEUDO-ORBITAL THEORY APPLIED TO SPIN CORRELATION

被引：108

作者：

NAKATSUJI, H

HIRAO, K

机构：

[1] KYOTO UNIV,FAC ENGN,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN

[2] SHIGA UNIV MED SCI,DEPT CHEM,SETA,OTSU,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 47卷 / 03期

关键词：

D O I：

10.1016/0009-2614(77)85042-2

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：569 / 571

页数：3

共 15 条

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[7] WHAT IS BEST EXPRESSION OF SECOND-ORDER SUM-OVER-STATE PERTURBATION ENERGY BASED ON HARTREE-FOCK WAVEFUNCTION [J].

NAKATSUJI, H .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (09) :3728-3736

[8] ORBITAL THEORIES IN SPIN-CORRELATION PROBLEMS .2. UNRESTRICTED AND SPIN-EXTENDED HARTREE-FOCK THEORIES [J].

NAKATSUJI, H .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (05) :2586-2595

[9]

PRIMAS H, 1965, MODERN QUANTUM CHEMI, V2, P45

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