Reliability of charge density distributions derived by the maximum entropy method
作者： Bo Brummerstedt Iversen
关键词: Charge density 、 Physics 、 Systematic error 、 Reliability (statistics) 、 Maximum entropy method 、 Maximum entropy probability distribution 、 Monte Carlo method 、 Statistics 、 Statistical physics 、 Maximum entropy spectral estimation 、 Filter (signal processing)
摘要: The MEM is a powerful new method which especially useful in cases with limited data sets (powder diffraction). Monte Carlo simulations have shown that the introduces systematic features into reconstructed density and caution should be exercised when interpreting fine details of an density. It must emphasized because present algorithms do not contain any models, they cannot filter out inconsistencies stemming from errors. densities may therefore non-physical only bias calculation but also errors data.
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