ABINITIO CONFIGURATION-INTERACTION STUDY OF MIXED BELI1-9 CLUSTERS

被引:55
作者
PEWESTORF, W
BONACICKOUTECKY, V
KOUTECKY, J
机构
关键词
D O I
10.1063/1.455555
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
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页码:5794 / 5802
页数:9
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共 30 条
[21]  
KOUTECKY J, IN PRESS
[22]   THE HUCKEL MODEL FOR SMALL METAL-CLUSTERS .2. ORBITAL ENERGIES, SHELL STRUCTURES, IONIZATION-POTENTIALS, AND EXTRAPOLATION TO THE BULK LIMIT [J].
LINDSAY, DM ;
YOUQI, W ;
GEORGE, TF .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (06) :3500-3511
[23]   CHEMICAL BONDING AND ELECTRONIC-STRUCTURE OF SMALL HOMONUCLEAR CLUSTERS OF ELEMENTS OF GROUP-IA, GROUP-IIA, GROUP-IIIA, AND GROUP-IVA [J].
PACCHIONI, G ;
PLAVSIC, D ;
KOUTECKY, J .
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1983, 87 (06) :503-512
[24]   THE BOND NATURE OF ALKALINE-EARTH HOMONUCLEAR METAL-CLUSTERS INVESTIGATED WITH PSEUDOPOTENTIAL CI METHOD [J].
PACCHIONI, G ;
KOUTECKY, J .
CHEMICAL PHYSICS, 1982, 71 (02) :181-198
[25]   ELECTRONIC-STRUCTURE AND GEOMETRIES OF HETEROATOMIC CLUSTERS [J].
RAO, BK ;
JENA, P .
PHYSICAL REVIEW B, 1988, 37 (06) :2867-2873
[26]  
SAFONOV AA, 1983, ZH STRUKT KHIM, V24, P168
[27]  
Wang Y., 1987, Journal of Chemical Physics, V86, P3493, DOI 10.1063/1.452005
[28]   SMALL ELEMENTAL CLUSTERS .1. THE STRUCTURES OF BE2, BE3, BE4, AND BE5 [J].
WHITESIDE, RA ;
KRISHNAN, R ;
POPLE, JA ;
KROGHJESPERSEN, MB ;
SCHLEYER, PV ;
WENKE, G .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1980, 1 (04) :307-322
[29]  
Workshop, 2021, WORKSH I TOO CAN QUA
[30]   ELECTRONIC SHELL STRUCTURE OF SIMPLE METAL HETEROCLUSTERS [J].
ZHANG, SB ;
COHEN, ML ;
CHOU, MY .
PHYSICAL REVIEW B, 1987, 36 (06) :3455-3458