Sin clusters:: Surface energy considerations for large n and all-electron Hartree-Fock calculations for n=45

被引：0

作者：

March, NH

Klein, DJ

Ray, AK

Wu, X

机构：

[1] Univ Antwerp, RUCA, Dept Phys, B-2020 Antwerp, Belgium

[2] Univ Oxford, Oxford, England

[3] Texas A&M Univ, Dept Marine Sci, Galveston, TX 77553 USA

[4] Univ Texas, Dept Phys, Arlington, TX 76019 USA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1999年 / 75卷 / 4-5期

关键词：

silicon clusters; cluster theory; sodium clusters;

D O I：

10.1002/(SICI)1097-461X(1999)75:4/5<829::AID-QUA48>3.0.CO;2-F

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：

Si-n clusters are examined and their properties are compared and contrasted with alkalis over a wide range of n. For large n, surface energy considerations are employed to study the probable stable structures of Si clusters. These considerations are then supplemented by all-electron Hartree-Fock calculations for likely structures for n = 45. (C) 1999 John Wiley & Sons, Inc.

引用

页码：829 / 838

页数：10

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