ELECTRON CORRELATION TECHNIQUES IN QUANTUM-CHEMISTRY - RECENT ADVANCES

被引：80

作者：

RAGHAVACHARI, K

机构：

来源：

ANNUAL REVIEW OF PHYSICAL CHEMISTRY | 1991年 / 42卷

关键词：

COUPLED CLUSTER THEORY; QUADRATIC CONFIGURATION INTERACTION; BRUECKNER ORBITALS; TRIPLE EXCITATIONS; OZONE;

D O I：

10.1146/annurev.physchem.42.1.615

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：615 / 642

页数：28

共 133 条

[71] THEORY OF SELF-CONSISTENT ELECTRON PAIRS - ITERATIVE METHOD FOR CORRELATED MANY-ELECTRON WAVEFUNCTIONS [J].

MEYER, W .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (07) :2901-2907

[72] PNO-CI STUDIES OF ELECTRON CORRELATION EFFECTS .1. CONFIGURATION EXPANSION BY MEANS OF NONORTHOGONAL ORBITALS, AND APPLICATION TO GROUND-STATE AND IONIZED STATES OF METHANE [J].

MEYER, W .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1017-1035

[73]

Meyer W., 1971, INT J QUANTUM CHEM, V5, P341, DOI [DOI 10.1002/QUA.560050839, 10.1002/qua.560050839]

[74] Note on an approximation treatment for many-electron systems [J].

Moller, C ;

Plesset, MS .

PHYSICAL REVIEW, 1934, 46 (07) :0618-0622

[75]

MOORE CE, 1959, NBS CIRC 467, V2

[76] SLOW CONVERGENCE OF THE MOLLER-PLESSET PERTURBATION-SERIES - THE DISSOCIATION-ENERGY OF HYDROGEN-CYANIDE AND THE ELECTRON-AFFINITY OF THE CYANO RADICAL [J].

NOBES, RH ;

POPLE, JA ;

RADOM, L ;

HANDY, NC ;

KNOWLES, PJ .

CHEMICAL PHYSICS LETTERS, 1987, 138 (05) :481-485

[77] TOWARDS A FULL CCSDT MODEL FOR ELECTRON CORRELATION - CCSDT-N MODELS [J].

NOGA, J ;

BARTLETT, RJ ;

URBAN, M .

CHEMICAL PHYSICS LETTERS, 1987, 134 (02) :126-132

[78]

NOGA J, 1988, J CHEM PHYS, V89, P3401, DOI 10.1063/1.455742

[79] THE FULL CCSDT MODEL FOR MOLECULAR ELECTRONIC-STRUCTURE [J].

NOGA, J ;

BARTLETT, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (12) :7041-7050

[80] DETERMINANT BASED CONFIGURATION-INTERACTION ALGORITHMS FOR COMPLETE AND RESTRICTED CONFIGURATION-INTERACTION SPACES [J].

OLSEN, J ;

ROOS, BO ;

JORGENSEN, P ;

JENSEN, HJA .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (04) :2185-2192

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