A STUDY OF BE2 WITH MANY-BODY PERTURBATION-THEORY AND A COUPLED-CLUSTER METHOD INCLUDING TRIPLE EXCITATIONS

被引:201
作者
LEE, YS [1 ]
BARTLETT, RJ [1 ]
机构
[1] UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
关键词
D O I
10.1063/1.447214
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:4371 / 4377
页数:7
相关论文
共 33 条
[1]   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
[2]  
BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8
[3]   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
[4]   MOLECULAR APPLICATIONS OF COUPLED CLUSTER AND MANY-BODY PERTURBATION-METHODS [J].
BARTLETT, RJ ;
PURVIS, GD .
PHYSICA SCRIPTA, 1980, 21 (3-4) :255-265
[5]  
BLOMBERG M, 1980, INT J QUANTUM CHEM, V14, P229
[6]   BERYLLIUM DIMER, A CRITICAL TEST CASE OF MBPT AND CI METHODS [J].
BLOMBERG, MRA ;
SIEGBAHN, PEM .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :583-592
[7]  
BONDYBEY VE, UNPUB
[8]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[9]   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
[10]   SCF-CI STUDIES OF CORRELATION EFFECTS ON HYDROGEN-BONDING AND ION HYDRATION - SYSTEMS - H2O,H+ . H2O, LI+ . H2O, F- . H2O, AND H2O . H2O [J].
DIERCKSEN, GHF ;
KRAEMER, WP ;
ROOS, BO .
THEORETICA CHIMICA ACTA, 1975, 36 (04) :249-274