マキシマムエントロピ-法による結晶構造解析の発展(平成4年度日本結晶学会賞授賞記念論文)

概要

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Recent development of the Maximum Entropy Method (MEM) in crystallography is described on 3 aspects. Firstly, in order to solve the negative scattering problem in the treatment of neutron diffraction data, the MEM equation is derived as a function of the nuclear densities instead of scattering length densites. Secondly, a new algorithm is developed to carry out the MEM calculation effectively. The MEED computer program based on the new algorithm can perform the same MEM calculation typically a few hundreds times faster than the old version of the MEM program, MEMTARO. Thirdly, the anharmonicities of Be is determined from the MEM nuclear density map obtained by using single crystyal neutron diffraction data.
日本結晶学会の論文