A STUDY OF THE BE2 POTENTIAL CURVE USING THE FULL (CCSDT) COUPLED-CLUSTER METHOD - THE IMPORTANCE OF T4 CLUSTERS

被引:77
作者
SOSA, C
NOGA, J
BARTLETT, RJ
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D O I
10.1063/1.454511
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 ;
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页码:5974 / 5976
页数:3
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共 19 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]  
BLOMBERG M, 1980, INT J QUANTUM CHEM, V14, P229
[3]   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
[4]   ELECTRONIC-STRUCTURE AND BONDING OF BE2 [J].
BONDYBEY, VE .
CHEMICAL PHYSICS LETTERS, 1984, 109 (05) :436-441
[5]   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
[6]   THE GROUND-STATE POTENTIAL-ENERGY CURVE OF BE-2 - IS THE MBPT APPROACH CAPABLE OF PREDICTING IT [J].
DIERCKSEN, GHF ;
KELLO, V ;
SADLEJ, AJ .
CHEMICAL PHYSICS, 1985, 96 (01) :59-79
[7]   ELECTRON CORRELATION IN SMALL METAL CLUSTERS - APPLICATION OF A THEORY OF SELF-CONSISTENT ELECTRON PAIRS TO BE-4 SYSTEM [J].
DYKSTRA, CE ;
SCHAEFER, HF ;
MEYER, W .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12) :5141-5146
[8]   FULL CI RESULTS FOR BE-2 AND (H-2)2 IN LARGE BASIS-SETS [J].
HARRISON, RJ ;
HANDY, NC .
CHEMICAL PHYSICS LETTERS, 1983, 98 (02) :97-101
[9]   APPLICABILITY OF COUPLED-PAIR THEORIES TO QUASI-DEGENERATE ELECTRONIC STATES - A MODEL STUDY [J].
JANKOWSKI, K ;
PALDUS, J .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 18 (05) :1243-1269
[10]   MOLECULAR BONDING IN GROUP-IIA DIMERS BE2-BA2 [J].
JONES, RO .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (03) :1300-1308