Application of Genetic Algorithms to Geometry Optimization of Microclusters: A Comparative Study of Empirical Potential Energy Functions for Silicon

2003 ◽  
Vol 18 (3) ◽  
pp. 329-339 ◽  
Author(s):  
Şakir Erkoç ◽  
Kemal Leblebicioğlu ◽  
Uğur Halici
Keyword(s):  
Genetic Algorithms ◽  
Potential Energy ◽  
Comparative Study ◽  
Geometry Optimization ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Empirical Potential

A COMPARATIVE STUDY OF EMPIRICAL POTENTIAL ENERGY FUNCTIONS: APPLICATIONS TO SILICON MICROCLUSTERS

2004 ◽  
Vol 15 (03) ◽  
pp. 403-408 ◽  
Author(s):  
ŞAKIR ERKOÇ ◽  
KUNIO TAKAHASHI
Keyword(s):  
Potential Energy ◽  
Comparative Study ◽  
Linear Structure ◽  
Potential Functions ◽  
Energy Functions ◽  
Tetrahedral Structure ◽  
Potential Energy Functions ◽  
Empirical Potential ◽  
Triangular Structure

A comparative study has been performed for silicon microclusters, Si 3 and Si 4, considering fifteen different empirical potential energy functions. It has been found that only two of the empirical potential energy functions give linear structure more stable for Si 3, the remaining potential functions give triangular structure as more stable. In the case of Si 4 microclusters eight potential functions give open tetrahedral structure as more stable, two functions give perfect tetrahedral as more stable, three functions give square structure as more stable, and two functions give linear structure as more stable.

A COMPARATIVE STUDY OF EMPIRICAL POTENTIAL ENERGY FUNCTIONS: APPLICATIONS TO CLUSTERS

2000 ◽  
Vol 11 (03) ◽  
pp. 451-467
Author(s):  
P. GÜNEŞ ◽  
S. ŞİMŞEK ◽  
S. ERKOÇ
Keyword(s):  
Potential Energy ◽  
Comparative Study ◽  
Structural Properties ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Empirical Potential

We have made a comparative study for the empirical potential energy functions proposed and parametrized for coinacal metals, namely Cu, Ag, and Au. We have considered four different potential energy functions, and applied them to investigate the structural properties and energetics of clusters of the elements considered.

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