CORRELATION PROBLEMS IN ATOMIC AND MOLECULAR SYSTEMS .6. COUPLED-CLUSTER APPROACH TO OPEN-SHELL SYSTEMS

被引：140

作者：

PALDUS, J

CIZEK, J

SAUTE, M

LAFORGUE, A

机构：

[1] UNIV WATERLOO, DEPT CHEM, WATERLOO N2L 3G1, ONTARIO, CANADA

[2] UNIV WATERLOO, GUELPH WATERLOO CTR GRAD WORK CHEM, WATERLOO N2L 3G1, ONTARIO, CANADA

来源：

PHYSICAL REVIEW A | 1978年 / 17卷 / 03期

关键词：

D O I：

10.1103/PhysRevA.17.805

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：805 / 815

页数：11

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[33] APPLICATIONS OF A NON-PERTURBATIVE MANY-BODY FORMALISM TO GENERAL OPEN-SHELL ATOMIC AND MOLECULAR PROBLEMS - CALCULATION OF GROUND AND LOWEST PI-PISTAR SINGLET AND TRIPLET ENERGIES AND 1ST IONIZATION-POTENTIAL OF TRANS-BUTADIENE [J].

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[35] APPLICATION OF GRAPHICAL METHODS OF SPIN ALGEBRAS TO LIMITED CI APPROACHES .1. CLOSED SHELL CASE [J].

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[36] CORRELATION PROBLEMS IN ATOMIC AND MOLECULAR SYSTEMS .5. SPIN-ADAPTED COUPLED CLUSTER MANY-ELECTRON THEORY [J].

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[37] CORRELATION PROBLEMS IN ATOMIC AND MOLECULAR SYSTEMS .4. EXTENDED COUPLED-PAIR MANY-ELECTRON THEORY AND ITS APPLICATION TO BH3 MOLECULE [J].

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[38] GREENS FUNCTION APPROACH TO DIRECT PERTURBATION CALCULATION OF EXCITATION-ENERGIES OF CLOSED SHELL FERMION SYSTEMS [J].

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PALDUS J, UNPUBLISHED

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