MULTI-REFERENCE COUPLED-CLUSTER METHODS FOR IONIZATION-POTENTIALS WITH PARTIAL INCLUSION OF TRIPLE EXCITATIONS

被引:60
作者
PAL, S [1 ]
RITTBY, M [1 ]
BARTLETT, RJ [1 ]
机构
[1] UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
关键词
D O I
10.1016/0009-2614(89)87584-0
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:212 / 218
页数:7
相关论文
共 40 条
[1]  
Baker A. D., 1968, INT J MASS SPECTROM, V1, P285, DOI DOI 10.1016/0020-7381(68)85005-3
[2]   THE COUPLED-CLUSTER METHOD WITH A MULTICONFIGURATION REFERENCE STATE [J].
BANERJEE, A ;
SIMONS, J .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 19 (02) :207-216
[3]  
BANSCHLICHER CW, 1987, J CHEM PHYS, V86, P2844
[4]  
Bartlett R. J., 1984, ADV THEORIES COMPUTA, P127
[5]   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
[6]   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]   MOLECULAR APPLICATIONS OF COUPLED CLUSTER AND MANY-BODY PERTURBATION-METHODS [J].
BARTLETT, RJ ;
PURVIS, GD .
PHYSICA SCRIPTA, 1980, 21 (3-4) :255-265
[9]   THE OPEN-SHELL COUPLED-CLUSTER METHOD IN GENERAL-MODEL SPACE - 5 STATES OF LIH [J].
BENSHLOMO, S ;
KALDOR, U .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (02) :956-958
[10]  
CIZEK J, 1966, J CHEM PHYS, V45, P4256