Top > Search Research paper > (In Japanese)相関電子系の新しい大規模計算アルゴリズム

(In Japanese)相関電子系の新しい大規模計算アルゴリズム

Research report code R070000006
File No. R070000006
Posted date Apr 11, 2008
  • (In Japanese)今田 正俊
  • (In Japanese)東京大学物性研究所
Research organization
  • (In Japanese)東京大学物性研究所
Report name (In Japanese)相関電子系の新しい大規模計算アルゴリズム
Technology summary (In Japanese)研究のねらい:新物質探索や次世代のエレクトロニクス開発の展望を切り開くために、多様な物質の示す物性を第一原理から理解することを可能にするシミュレーション技術の開発の需要は大きい。このプロジェクトでは経路積分繰り込み群法を技術の核とし、電子相関効果が重要でない周辺部では従来の密度汎関数法を組み合わせて、シームレスに複雑な系のハイブリッド型大規模計算が可能になるような手法とシミュレーション技術を開発実用化することを狙う。

※Click image to enlarge.

R070000006_01SUM.gif R070000006_02SUM.gif
Research field
  • Electronic structure in general
Published papers related (In Japanese)(1) M. Imada, S. Onoda, T. Mizusaki, and S. Watanabe, “Tools for Studying Quantum Emergence near Phase Transitions”,the International Conference in Highlights in Condensed Matter Physics in Salerno, Italy 9-11, May 2003, eds. A. Avella, R. Citro, C. Noce, and M. Salerno, AIP Conference Prodeedings Volume 695 (Melville, New York, 2003), pp75.
(2) M. Imada, T. Mizusaki, and S. Watanabe, "Path-Integral Renormalization Group Method" The Monte Carlo Method in the Physical Sciences Celebrating the 50th Anniversary of the Metropolis Algorithm, Los Alamos, New Mexico 9-11 June 2003, eds. J.E. Gubernatis, AIP Conference Proceedings Volume 690 (Melville, New York, 2003), pp. 207-217.
(3) T. Mizusaki, and M. Imada, "Quantum-Number Projection in the Path-Integral Renormalization Group Method" Phys. Rev. B 69, 125110 (2004).
(4) M. Imada, "Quantum Mott Transition and Multi-Furcating Criticality" J. Phys. Soc. Jpn. 73, 1851 (2004).
(5) S. Watanabe, and M. Imada "Precise Determination of Phase Diagram for Two-Dimensional Hubbard Model with Filling- and Bandwidth-Control Mott Transitions: Grand-Canonical Path-Integral Renormalization Group Approach" J. Phys. Soc. Jpn. 73, 1251 (2004).
(6) F. Aryasetiawan, M. Imada, A. Georges, G. Kotliar, S. Biermann, A. I. Lichtenstein "Frequency-dependent local interactions and low-energy effective models from electronic structure calculations" Phys. Rev. B70, 195104 (2004)
(7) I.V. Solovyev and M. Imada "Screening of Coulomb interactions in transition metals" Phys. Rev. B71 045103 (2005)
(8) M. Imada "Universality classes of metal-insulator transitions in strongly correlated electron systems and mechanism of high-temperature superconductivity" Phys. Rev. B 72 075113 (2005).
(9) K. Hanasaki and M. Imada "Charge Ordered Insulator without Magnetic Order Studied by Correlator Projection Method" J. Phys. Soc. Jpn. 74, 2769 (2005).
(10) Y. Imai, I. Solovyev, and M. Imada "Electronic structure of strongly correlated systems emerging from combining path-integral renormalization group with the density-functional approach" Phys. Rev. Lett. 95 176405 (2005).
(11) M. Imada, Correlator Projectio Theory, International Conference on Highlights in Condensed Matter Physics, Salerno, Italy, May 9-11, 2003.
(12) M. Imada, Path-Integral Renormalization Group Method, International Conference on the Monte Carlo Method in the Physical Sciences Celebrating the 50th Anniversary of the Metropolis Algorithm, Los Alamos, USA, June 9-11, 2003.
(13) M. Imada, Numerical Tools and Outcome for Competing Orders in Strongly Correlated, International Symposium on Competing Phases in Novel Condensed-Matter Systems, Wurzburg, Germany, July 9-11, 2003.
(14) 今田正俊、強相関電子系のウィグナー結晶、電荷秩序 日本物理学会2004年春季大会シンポジウム (領域12)「クーロン系の構造形成:電子から高分子まで」2004年3月九州大学
(15) M. Imada, Competing Phases and Opticel Properties 4th International Conference on Low Energy Electrodynamics in Solids (LEES 04), July 18-23, 2004, Kloster Banz, Germany
(16) M. Imada, Density Fluctuation and Superconductivity near Mott Criticality German-Japanese Symposium, Competing Phases in Novel Condensed-Matter Systems August 1-5, 2004, Lauterbad, Germany
(17) 今田正俊、強相関電子系の第一原理シミュレーション手法の開発と電子状態予測 日本物理学会2004年秋季大会シンポジウム(領域4)「計算機ナノマテリアルデザイン・量子シミュレーション手法の開発と応用」2004年9月青森大学
(18) M. Imada, Electronic structure calculation with new tools for realistic correlated electron systems Second International Workshop on Ordering Phenomena in Transition Metal Oxides September 26-29, 2004, Wildbad Kreuth, Germany
(19) M. Imada, First-principles method for strongly correlated electrons: PIRG+CLDA-GW NAREGI Workshop on Electronic Transport, Excitation and Correlation in Nanoscale, October 4-6, 2004, Sapporo
(20) M. Imada, Theory of Electron Differentiation Revealed by Photoemission Experiments International Workshop on Strong Correlations and ARPES: Recent Progress in Theory and Experiment, April 4-8, 2005, Dresden, Germany
Information research report
  • (In Japanese)今田 正俊. 相関電子系の新しい大規模計算アルゴリズム. シミュレーション技術の革新と実用化基盤の構築 第1回 シンポジウム 講演要旨集, 2005. p.61 - 65.