Abstract
A Monte Carlo computing procedure is presented for evaluating the set of parameters which characterize the superhyperfine interaction in electron-nuclear spin coupled systems. The method is illustrated in the determination of the components T/sub /// and Tperpendicular to of the interaction tensor Tto or from together with the linewidth Delta Hp-p of each of the superhyperfine transitions present in the electron paramagnetic resonance spectrum given by a cubic Gd3+ centre in CaF2 recorded at room temperature. The different steps followed to simulate the 'annealing' of the system are described in detail together with the shortcuts proposed in order to minimize the computing time taken for the procedure to converge to the best set of parameters. This method is applicable even if no good estimates are available for the initial set of parameters as these are usually taken as zero. This modern approach to the complicated problem of fitting the superhyperfine structure to the theoretical expressions is shown to be the best alternative and even if it is time consuming it can be easily run on a microcomputer.
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