2010 Fiscal Year Final Research Report
Development of a new scheme of energy-band calculation on the basis of the extended constrained-search theory
| Project/Area Number |
19540399
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Mathematical physics/Fundamental condensed matter physics
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| Research Institution | Shinshu University |
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Principal Investigator |
HIGUCHI Masahiko Shinshu University, 理学部, 准教授 (10292202)
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| Co-Investigator(Kenkyū-buntansha) |
HIGUCHI Katsuhiko 広島大学, 大学院・先端物質科学研究科, 准教授 (20325145)
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| Project Period (FY) |
2007 – 2010
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| Keywords | 拡張された制限つき探索理論 / ECS理論 / 対密度 / 電子相関 / 交換相関エネルギー汎関数 / 有限温度ECS理論 / 超伝導 / 時間依存ECS理論 |
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| Research Abstract |
In this study, we have advanced the development of our extended constrained-search theory (ECS theory) toward a new scheme of the energy-band calculation that is applicable to various systems including strongly-correlated electron systems. More specifically, we first have proposed the pair density functional theory that can reproduce the diagonal elements of the second-order reduced density matrix (pair density), and confirmed its validity successfully through numerical calculations. We also have generalized the ECS theory so that one can apply the ECS theory to finite-temperature systems. The validity of the generalization has been confirmed by applying it to superconducting systems. Furthermore, the ECS theory has been extended so as to describe the time-dependent phenomena.
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