AN EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CONSTRUCTED FROM PAIR-INTERACTIONS

被引：37

作者：

ERKOC, S

机构：

[1] Department of Physics, Middle East Technical University, Ankara

来源：

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1994年 / 32卷 / 03期

关键词：

D O I：

10.1007/BF01437156

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

A new empirical potential energy function (PEF) is proposed, which is formed from pair-interactions only, and contains the many-body contributions; The PEF satisfies bulk cohesive energy and bulk stability condition. The PEF is parameterized for copper, silver, and gold elements in fee crystal structure. The elastic constants C-11 and C-12 and the bulk modulus of the elements are calculated, and the structural stability and energetics of microclusters containing 3 to 7 atoms of the same elements are investigated.

引用

页码：257 / 260

页数：4

共 16 条

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