CONVERGENCE OF THE COUPLED-CLUSTER SINGLES, DOUBLES AND TRIPLES METHOD

被引:39
作者
TRUCKS, GW [1 ]
NOGA, J [1 ]
BARTLETT, RJ [1 ]
机构
[1] UNIV FLORIDA,DEPT PHYS,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
关键词
D O I
10.1016/0009-2614(88)87418-9
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
收藏
页码:548 / 554
页数:7
相关论文
共 36 条
[1]   APPLICATION OF AN APPROXIMATE DOUBLE SUBSTITUTION COUPLED CLUSTER (ACCD) METHOD TO THE POTENTIAL CURVES OF CO AND NEHE - HIGHER-ORDER CORRELATION-EFFECTS IN CHEMICALLY AND WEAKLY BONDED MOLECULES [J].
BACHRACH, SM ;
CHILES, RA ;
DYKSTRA, CE .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (05) :2270-2275
[2]  
Bartlett R. J., 1984, ADV THEORIES COMPUTA, P127
[3]   MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].
BARTLETT, RJ .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401
[4]  
BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8
[5]   REDUCED PARTITIONING PROCEDURE IN CONFIGURATION INTERACTION STUDIES .1. GROUND-STATES [J].
BARTLETT, RJ ;
BRANDAS, EJ .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5467-+
[6]   REDUCED PARTITIONING PROCEDURE IN CONFIGURATION INTERACTION STUDIES .2. EXCITED-STATES [J].
BARTLETT, RJ ;
BRANDAS, EJ .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (04) :2032-2042
[7]   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
[8]   AN ELECTRON PAIR OPERATOR APPROACH TO COUPLED CLUSTER WAVE-FUNCTIONS - APPLICATION TO HE-2, BE-2, AND MG-2 AND COMPARISON WITH CEPA METHODS [J].
CHILES, RA ;
DYKSTRA, CE .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (08) :4544-4556
[9]  
CIZEK J, 1966, J CHEM PHYS, V45, P4256
[10]  
COLE S, 1985, CHEM PHYS LETT, V113, P217