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
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
收藏
页码:1044 / 1046
页数:3
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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 [J].
AHLRICHS, R ;
LISCHKA, H ;
STAEMMLER, V ;
KUTZELNIGG, W .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) :1225-1234
[2]   ADSORPTION SPECTRUM OF MG2 MOLECULE [J].
BALFOUR, WJ ;
DOUGLAS, AE .
CANADIAN JOURNAL OF PHYSICS, 1970, 48 (07) :901-&
[3]   MODEL STUDIES OF CHEMISORPTION . INTERACTION BETWEEN ATOMIC-HYDROGEN AND BERYLLIUM CLUSTERS [J].
BAUSCHLICHER, CW ;
LISKOW, DH ;
BENDER, CF ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (12) :4815-4825
[4]   THEORETICAL CALCULATION OF POTENTIAL CURVES OF BE2 MOLECULE [J].
BENDER, CF ;
DAVIDSON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (12) :4972-&
[5]   TETRAHEDRAL BE-4 [J].
BREWINGTON, RB ;
BENDER, CF ;
SCHAEFER, HF .
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 [J].
CHILES, RA ;
DYKSTRA, CE .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (08) :4544-4556
[7]   CONVERGENCE OF MULTIBODY EXPANSIONS FOR ALKALINE-EARTH METALS - CONTRAST BETWEEN MAGNESIUM AND BERYLLIUM CLUSTERS [J].
DAUDEY, JP ;
NOVARO, O ;
KOLOS, W ;
BERRONDO, M .
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 [J].
DYKSTRA, CE ;
SCHAEFER, HF ;
MEYER, W .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12) :5141-5146
[9]   THEORY OF SELF-CONSISTENT ELECTRON PAIRS - COMPUTATIONAL METHODS AND PRELIMINARY APPLICATIONS [J].
DYKSTRA, CE ;
SCHAEFER, HF ;
MEYER, W .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (07) :2740-2750
[10]  
DYKSTRA CE, UNPUBLISHED