| Budget Amount *help |
¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Fiscal Year 2014: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2013: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2012: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
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| Outline of Final Research Achievements |
We developed a quantum chemical program system based upon Multiresolution Multi-wavelet basis set for evaluating dynamic polarizability in a wide frequency range.
The program“response”thus developed has same algorithmic format as“moldft”in madness, an open source computational science program which is efficient in next generation computational environments in the US and Japan. This program is capable to provide numeric results with arbitrary precision which is critical difference from traditional quantum chemical codes based upon Gaussian basis set. It is also designed to provide polarizability at near resonance region with sufficient precision and efficiency. We submitted the developed program as a part of madness program system, so that all the developer in the world can continue the development to adapt it with the future computational environments.
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