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Updated: May 31, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
The generalized simulated annealing algorithm in the low energy electron diffraction search problem
Eduardo Dos R Correia1, Von B Nascimento, Caio M C de Castilho
1Grupo de Física de Superfícies e Materiais, Instituto de Física, Universidade Federal da Bahia, Campus Universitário da Federação, 40210-340, Salvador, BA, Brazil.
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.

