| Budget Amount *help |
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2010: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2009: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2008: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
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| Research Abstract |
We extended the method evaluating the electrostatic potential by analyzing X-ray diffraction data on the basis to maximum entropy method, and made it applicable to any crystalline system. We also made software calculating the electric field vectors from the obtained electrostatic potential, and visualizing them in 3 dimensions. Furthermore, we developed an analysis method for electrostatic potential which corresponds to the AIM (Atom in Molecules) analysis in charge density. We applied these methods to several materials, and shows the efficiency of the method.
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