Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/4317
Title: Global versus local minimization procedures for the determination of spin Hamiltonian parameters from EPR spectra
Authors: DELLA LUNGA, G.
Pogni, Rebecca 
Basosi, Riccardo 
Keywords: EPR; analysis of ESR spectra in fast motion conditions
Issue Date: 1998
Project: None 
Journal: MOLECULAR PHYSICS
Abstract: 
The simulated annealing procedure based on the Metropolis Monte Carlo algorithm is presented as a numerical method for the analysis of ESR spectra. It provides a way of finding the global minimum of the function which describes the difference between the theoretically calculated spectrum and the experimentally measured one. Compared with the commonly used iterative procedure, it has the advantage of not getting stuck in local minima of the parameter space. This implies that the procedure can be started with arbitrary initial parameters. The usefulness of the method is illustrated by its application to the analysis of ESR spectra in fast motion conditions. The results are compared with those obtained by different minimization algorithms.
Description: 
37567
URI: http://hdl.handle.net/20.500.12779/4317
ISSN: 0026-8976
DOI: 10.1080/00268979809483258
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