THE COUPLED-CLUSTER SINGLE, DOUBLE, AND TRIPLE EXCITATION MODEL FOR OPEN-SHELL SINGLE REFERENCE FUNCTIONS

被引：339

作者：

WATTS, JD ^{[1
]}

BARTLETT, RJ ^{[1
]}

机构：

[1] UNIV FLORIDA,DEPT PHYS,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611

来源：

JOURNAL OF CHEMICAL PHYSICS | 1990年 / 93卷 / 08期

关键词：

D O I：

10.1063/1.459002

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：

[No abstract available]

引用

页码：6104 / 6105

页数：2

共 18 条

[1] MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM [J].

BARTLETT, RJ ;

PURVIS, GD .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :561-581

[2] COUPLED-CLUSTER APPROACH TO MOLECULAR-STRUCTURE AND SPECTRA - A STEP TOWARD PREDICTIVE QUANTUM-CHEMISTRY [J].

BARTLETT, RJ .

JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (05) :1697-1708

[3] FULL CL BENCHMARK CALCULATIONS FOR SEVERAL STATES OF THE SAME SYMMETRY [J].

BAUSCHLICHER, CW ;

TAYLOR, PR .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (05) :2844-2848

[4] BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON H2O, F, AND F- [J].

BAUSCHLICHER, CW ;

TAYLOR, PR .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) :2779-2783

[5] A FULL CL TREATMENT OF THE 1A1-3B1 SEPARATION IN METHYLENE [J].

BAUSCHLICHER, CW ;

TAYLOR, PR .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11) :6510-6512

[6]

CIZEK J, 1966, J CHEM PHYS, V45, P4256

[7] SINGLET-TRIPLET ENERGY-GAP IN METHYLENE USING MANY-BODY METHODS [J].

COLE, SJ ;

PURVIS, GD ;

BARTLETT, RJ .

CHEMICAL PHYSICS LETTERS, 1985, 113 (03) :271-274

[8] A COUPLED CLUSTER APPROACH WITH TRIPLE EXCITATIONS [J].

LEE, YS ;

KUCHARSKI, SA ;

BARTLETT, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (12) :5906-5912

[9] 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

[10]

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

← 1 2 →