Development of new methods of first-principles calculation
| Project/Area Number |
17064003
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| Research Category |
Grant-in-Aid for Scientific Research on Priority Areas
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | The University of Tokyo |
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Principal Investigator |
TSUNEYUKI Shinji The University of Tokyo, 大学院・理学系研究科, 教授 (90197749)
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| Co-Investigator(Kenkyū-buntansha) |
MAEZONO Ryo 北陸先端科学技術大学院大学, 情報科学研究科, 講師 (40354146)
KUSAKABE Koichi 大阪大学, 大学院・基礎工学研究科, 准教授 (10262164)
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| Project Period (FY) |
2005 – 2008
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| Project Status |
Completed (Fiscal Year 2008)
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| Budget Amount *help |
¥8,700,000 (Direct Cost: ¥8,700,000)
Fiscal Year 2008: ¥2,300,000 (Direct Cost: ¥2,300,000)
Fiscal Year 2007: ¥2,300,000 (Direct Cost: ¥2,300,000)
Fiscal Year 2006: ¥2,300,000 (Direct Cost: ¥2,300,000)
Fiscal Year 2005: ¥1,800,000 (Direct Cost: ¥1,800,000)
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| Keywords | 第一原理計算 / 密度汎関数理論 / 電子相関 / 多体問題 / 局所密度近似 / 密度汎関数 / 電子状態計算 / 密度汎関数法 / 波動関数理論 / 量子モンテカルロ法 / 有効多電子理論 / Beyond LDA |
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| Research Abstract |
Three research projects in A01 group aim at developing new first-principles electronic structure calculation methods with much more precision and reliability than conventional methods based on density functional theory (DFT) and local-density approximation (LDA). To this end, in this project for research coordination, we encouraged collaboration and an exchange of information among the three research projects, which are widely spread but closely related with each other, and also promoted cooperation with research projects in A02 and A03 groups.
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Report
(5 results)
Research Products
(7 results)
