Highly efficient and highly accurate program for evaluation of optical property using MRMW
Project/Area Number |
24550020
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Research Category |
Grant-in-Aid for Scientific Research (C)
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Allocation Type | Multi-year Fund |
Section | 一般 |
Research Field |
Physical chemistry
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Research Institution | Toyohashi University of Technology |
Principal Investigator |
SEKINO Hideo 豊橋技術科学大学, 工学(系)研究科(研究院), 教授 (40335104)
|
Project Period (FY) |
2012-04-01 – 2015-03-31
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Project Status |
Completed (Fiscal Year 2014)
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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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Keywords | 多重解像度多重ウェーブレット / madness / 応答関数方程式 / スケーラビリティ / ジェネリックコード / 多重解像度多重ウェーブレーット |
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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Report
(4 results)
Research Products
(26 results)
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[Presentation] Quantum dynamics in multiresolution multiwavelet space2015
Author(s)
H.Sekino, Y.Niimura, S.Hamada and R.J.Harrison
Organizer
International Workshop on New Frontier of Numerical Methods for Many-Body Correlations - Methodologies and Algorithms for Fermion Many-Body Problems
Place of Presentation
東京大学(文京区)
Year and Date
2015-02-18 – 2015-02-21
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