| Budget Amount *help |
¥5,590,000 (Direct Cost: ¥4,300,000、Indirect Cost: ¥1,290,000)
Fiscal Year 2014: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2013: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2012: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
|
|---|
| Outline of Final Research Achievements |
We theoretically explored potential of XFEL that enables us to investigate real-time observation of chemical reactions, single molecular structure analysis and novel physical properties. Information about core excitations and ionizations, which inevitably and uniquely occur for XFEL experiments, is important for future XFEL experiments. Therefore, density functional theory with orbital-specific exchange-correlation functionals was applied to core excitations and ionizations for small molecules. The density functional calculations assure that we are almost prepared to investigate different target such as dye-sensitizers used for solar cells. Based on theoretical calculations, we also proposed a new scheme to measure pulse width of XFEL using aniline.
|
