2017 Fiscal Year Final Research Report
Development of the pair-density functional theory that is suitable for the strongly correlated electron systems
| Project/Area Number |
26400354
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Multi-year Fund |
|---|
| Section | 一般 |
|---|
| Research Field |
Condensed matter physics II
|
|---|
| Research Institution | Shinshu University |
|---|
Principal Investigator |
|
|---|
| 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)
|
|---|
| Project Period (FY) |
2014-04-01 – 2018-03-31
|
| 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 |
|---|
| 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.
|
| Free Research Field |
物性理論
|
