A Guide to Full Utilization of RIETAN, Three-Dimensional Visualization of Electron- and Nuclear-Density Distribution

Fujio IZUMI

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A Guide to Full Utilization of RIETAN, Three-Dimensional Visualization of Electron- and Nuclear-Density Distribution

机译：充分利用RIETAN的指南，电子和核密密度分布的三维可视化

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The combination of RIETAN-2000 and a new MEM analysis program PRIMA enables us to represent crystal structures with densities of electrons (X-ray diffraction< or coherent-scattering lengths (neutron diffraction) instead of structure parameters in Rietveld analysis. We have devised sophisticated methodology named MEM-based pattern fitting, where whole-pattern fitting and MEM analysis are alternately repeated to reduce the bias of a structural model in Rietveld analysis as much as possible. Applications of MPF to some compounds will be demonstrated. A 3D visualization program VENUS serves to display and manipulate electron and scattering-length densities, electrostatic potentials, wave functions, and so forth.

机译：RIETAN-2000和新的MEM分析程序PRIMA的组合使我们能够代表具有密度的电子（X射线衍射<或相干散射长度（中子衍射）而不是RIETVELD分析中的结构参数。我们设计了复杂的根据基于MEM的模式配件，其中交替地重复了基于MEM的模式配合，以尽可能地重复全图形拟合和MEM分析以减少RIETVELD分析中的结构模型的偏差。将对一些化合物进行证明。3D可视化程序金星用于显示和操纵电子和散射长度的密度，静电电位，波函数等。

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《日本结晶学会志》 |2002年第6期|共9页
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Fujio IZUMI;
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1. A Guide to Full Utilization of RIETAN, Three-Dimensional Visualization of Electron- and Nuclear-Density Distribution [J] . Fujio IZUMI 日本结晶学会志 . 2002,第6期

机译：RIETAN充分利用指南，电子密度和核密度分布的三维可视化
2. A Guide to Full Utilization of RIETAN, Information Obtained from Powder Diffraction Data [J] . Fujio IZUMI 日本结晶学会志 . 2002,第5期

机译：RIETAN的充分利用指南，从粉末衍射数据获得的信息
3. A Guide to Full Utilization of RIETAN, Input and Output Files [J] . Fujio IZUMI 日本结晶学会志 . 2002,第4期

机译：RIETAN，输入和输出文件的充分利用指南
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7. A Guide to Full Utilization of RIETAN, Three-Dimensional Visualization of Electron- and Nuclear-Density Distribution. [O] . Fujio IZUMI 2002

机译：充分利用RIETAN的指南，电子和核密密度分布的三维可视化。

A Guide to Full Utilization of RIETAN, Three-Dimensional Visualization of Electron- and Nuclear-Density Distribution

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