ON THE BINDING-ENERGY OF THE GROUND-STATE OF BE2

被引：13

作者：

ROEGGEN, I ^{[1
]}

MOROKUMA, K ^{[1
]}

YAMASHITA, K ^{[1
]}

机构：

[1] INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1987年 / 140卷 / 04期

关键词：

D O I：

10.1016/0009-2614(87)80745-5

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

页码：349 / 354

页数：6

共 17 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]

CHALASINSKI G, 1983, CHEM PHYS, V82, P107

[6] 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

[7] MBPT STUDIES OF VANDERWAALS MOLECULES .3. THE RELIABILITY OF APPARENTLY ACCURATE CALCULATIONS FOR THE MAGNESIUM DIMER [J].

DIERCKSEN, GHF ;

KELLO, V ;

SADLEJ, AJ .

CHEMICAL PHYSICS, 1986, 103 (01) :55-74

[8]

DIJKSTRA CE, 1976, J CHEM PHYS, V65, P5141

[9] 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

[10] A STUDY OF BE2 WITH MANY-BODY PERTURBATION-THEORY AND A COUPLED-CLUSTER METHOD INCLUDING TRIPLE EXCITATIONS [J].

LEE, YS ;

BARTLETT, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (09) :4371-4377

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