MULTIREFERENCE CLUSTER-EXPANSION THEORY - MR-SAC THEORY

被引：78

作者：

NAKATSUJI, H

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 02期

关键词：

D O I：

10.1063/1.449485

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：713 / 722

页数：10

共 66 条

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

PALDUS, J ;

SHAVITT, I ;

CIZEK, J .

PHYSICAL REVIEW A, 1972, 5 (01) :50-&

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

PALDUS, J ;

CIZEK, J ;

SAUTE, M ;

LAFORGUE, A .

PHYSICAL REVIEW A, 1978, 17 (03) :805-815

[53]

PALDUS J, 1983, NEW HORIZONS QUANTUM, P31

[54]

PALDUS J, INT J QUANTUM CHEM S

[55] ELECTRON CORRELATION THEORIES AND THEIR APPLICATION TO STUDY OF SIMPLE REACTION POTENTIAL SURFACES [J].

POPLE, JA ;

KRISHNAN, R ;

SCHLEGEL, HB ;

BINKLEY, JS .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :545-560

[56]

POPLE JA, 1977, INT J QUANTUM CHEM, P149

[57] A FULL COUPLED-CLUSTER SINGLES AND DOUBLES MODEL - THE INCLUSION OF DISCONNECTED TRIPLES [J].

PURVIS, GD ;

BARTLETT, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (04) :1910-1918

[58] C2V INSERTION PATHWAY FOR BEH2 - A TEST PROBLEM FOR THE COUPLED-CLUSTER SINGLE AND DOUBLE EXCITATION MODEL [J].

PURVIS, GD ;

SHEPARD, R ;

BROWN, FB ;

BARTLETT, RJ .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (03) :835-845

[59] MANY-ELECTRON THEORY OF NONCLOSED-SHELL ATOMS AND MOLECULES .2. VARIATIONAL THEORY [J].

SILVERSTONE, HJ ;

SINANOGLU, O .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) :3608-+

[60] MANY-ELECTRON THEORY OF NONCLOSED-SHELL ATOMS AND MOLECULES .I. ORBITAL WAVEFUNCTION AND PERTURBATION THEORY [J].

SILVERSTONE, HJ ;

SINANOGL.O .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1899-+

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