2012 Fiscal Year Final Research Report
Understanding of multidimensional quantum phenomenon in molecules with many-body quantum wavepacket theory
| Project/Area Number |
22740272
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Biophysics/Chemical physics
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| Research Institution | The University of Tokyo |
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Principal Investigator |
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| Project Period (FY) |
2010 – 2012
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| Keywords | 化学物理 |
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| Research Abstract |
We have established a wavepacket dynamics method based on the Action Decomposed Function (ADF). This method is not accompanied with the integration of the stability matrix, which prevents large scale calculation because of the required numerical efforts to implement. Considering the geometric structure around the classical trajectory, it was found that quantum effect is appropriately incorporated to go beyond the semiclassical singularity. Applying the method to several systems, that include the one with 100 degrees of freedom, we have confirmed the feasibility of our theoretical framework and established the practical basis for revealing multidimensional molecular quantum dynamics in molecules.
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