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

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

NOGA, J ;

BARTLETT, RJ .

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

[12] MULTI-REFERENCE COUPLED-CLUSTER METHODS FOR IONIZATION-POTENTIALS WITH PARTIAL INCLUSION OF TRIPLE EXCITATIONS [J].

PAL, S ;

RITTBY, M ;

BARTLETT, RJ .

CHEMICAL PHYSICS LETTERS, 1989, 160 (02) :212-218

[13] 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

[14] 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

[15] AN OPEN-SHELL SPIN-RESTRICTED COUPLED CLUSTER METHOD - APPLICATION TO IONIZATION-POTENTIALS IN N-2 [J].

RITTBY, M ;

BARTLETT, RJ .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (11) :3033-3036

[16] ANALYTIC ENERGY DERIVATIVES IN MANY-BODY METHODS .1. 1ST DERIVATIVES [J].

SALTER, EA ;

TRUCKS, GW ;

BARTLETT, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (03) :1752-1766

[17] A NEW IMPLEMENTATION OF THE FULL CCSDT MODEL FOR MOLECULAR ELECTRONIC-STRUCTURE [J].

SCUSERIA, GE ;

SCHAEFER, HF .

CHEMICAL PHYSICS LETTERS, 1988, 152 (4-5) :382-386

[18] TOWARDS A FULL CCSDT MODEL FOR ELECTRON CORRELATION [J].

URBAN, M ;

NOGA, J ;

COLE, SJ ;

BARTLETT, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (08) :4041-4046

← 1 2 →