The generalized simulated annealing algorithm in the low energy electron diffraction search problem

Eduardo Dos R Correia; Von B Nascimento; Caio M C de Castilho; Antonio S C Esperidião; Edmar A Soares; Vagner E de Carvalho

doi:10.1088/0953-8984/17/1/001

The generalized simulated annealing algorithm in the low energy electron diffraction search problem

J Phys Condens Matter. 2005 Jan 12;17(1):1-16. doi: 10.1088/0953-8984/17/1/001. Epub 2004 Dec 10.

Authors

Eduardo Dos R Correia¹, Von B Nascimento, Caio M C de Castilho, Antonio S C Esperidião, Edmar A Soares, Vagner E de Carvalho

Affiliation

¹ Grupo de Física de Superfícies e Materiais, Instituto de Física, Universidade Federal da Bahia, Campus Universitário da Federação, 40210-340, Salvador, BA, Brazil.

PMID: 21690663
DOI: 10.1088/0953-8984/17/1/001

Abstract

We present in this work results concerning the application of the generalized simulated annealing (GSA) algorithm to the LEED search problem. The influence of the visiting distribution function (defined by the so-called q(V) parameter) in the effectiveness of the method was investigated by the application of the algorithm to structural searches for optimization of two to ten parameters in a theory-theory comparison for the CdTe(110) system. Results, obtained with the scaling relation and probability of convergence as a function of the number of parameters to be varied, indicate the fast simulated annealing (FSA) (q(V) = 2.0) approach as the best search machine.