BONDING IN THE MG4 CLUSTER - AN EXAMPLE OF CHEMICAL BONDING ORIGINATING FROM ELECTRON CORRELATION-EFFECTS

被引：45

作者：

CHILES, RA ^{[1
]}

DYKSTRA, CE ^{[1
]}

JORDAN, KD ^{[1
]}

机构：

[1] UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 75卷 / 02期

关键词：

D O I：

10.1063/1.442054

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：1044 / 1046

页数：3

共 24 条

[1] PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES
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[2] ADSORPTION SPECTRUM OF MG2 MOLECULE
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DOUGLAS, AE
[J]. CANADIAN JOURNAL OF PHYSICS, 1970, 48 (07) : 901 - &
[3] MODEL STUDIES OF CHEMISORPTION . INTERACTION BETWEEN ATOMIC-HYDROGEN AND BERYLLIUM CLUSTERS
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LISKOW, DH
BENDER, CF
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (12) : 4815 - 4825
[4] THEORETICAL CALCULATION OF POTENTIAL CURVES OF BE2 MOLECULE
BENDER, CF
DAVIDSON, ER
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (12) : 4972 - &
[5] TETRAHEDRAL BE-4
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BENDER, CF
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (02) : 905 - 906
[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
CHILES, RA
DYKSTRA, CE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (08) : 4544 - 4556
[7] CONVERGENCE OF MULTIBODY EXPANSIONS FOR ALKALINE-EARTH METALS - CONTRAST BETWEEN MAGNESIUM AND BERYLLIUM CLUSTERS
DAUDEY, JP
NOVARO, O
KOLOS, W
BERRONDO, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (11) : 4297 - 4303
[8] ELECTRON CORRELATION IN SMALL METAL CLUSTERS - APPLICATION OF A THEORY OF SELF-CONSISTENT ELECTRON PAIRS TO BE-4 SYSTEM
DYKSTRA, CE
SCHAEFER, HF
MEYER, W
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12) : 5141 - 5146
[9] THEORY OF SELF-CONSISTENT ELECTRON PAIRS - COMPUTATIONAL METHODS AND PRELIMINARY APPLICATIONS
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SCHAEFER, HF
MEYER, W
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (07) : 2740 - 2750
[10] DYKSTRA CE, UNPUBLISHED

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