Development of the pair-density functional theory that is suitable for the strongly correlated electron systems
| Project/Area Number |
26400354
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Condensed matter physics II
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| Research Institution | Shinshu University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
樋口 克彦 広島大学, 先端物質科学研究科, 准教授 (20325145)
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| Project Period (FY) |
2014-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2017: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2016: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2015: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2014: ¥520,000 (Direct Cost: ¥400,000、Indirect Cost: ¥120,000)
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| Keywords | 対密度 / 有限温度対密度汎関数理論 / 電子相関 / 運動エネルギー汎関数 / エントロピー / 超伝導 / 粒子数揺らぎ / ジャストロウ波動関数 / 対密度汎関数理論 / ジャストロウ対密度 / N表示可能性 / 変分原理 / 運動エネルギー / 超伝導秩序変数 / 有限温度 / 有限温度の対密度汎関数理論 |
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| Outline of Final Research Achievements |
In this study, we have performed the following three topics of research.
(1) Development of the finite-temperature pair-density functional theory (FT-PDFT): The pair-density essentially contains the accurate information on the electron correlation. We have developed the FT-PDFT, in which the pair-density is chosen as one of basic variables. (2) Development of the calculation scheme of the FT-PDFT: In order to develop the calculation scheme, we have performed the issues such as (A) extension of the searching region of the pair-density, (B) development of the approximate kinetic energy functional, (C) development of the entropy functional. (3) Development of the first-principles theory for the superconductor: The pair-density is related to the order parameter of the superconductivity via the fluctuation of the particle numbers. Using this fact, we have developed the FT-PDFT for the superconductor, in which the fluctuation of the particle numbers can be reproduced correctly.
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Report
(5 results)
Research Products
(24 results)
