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Application of the extended constrained-search theory to the current-induced system

Research Project

Project/Area Number 23540446
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Mathematical physics/Fundamental condensed matter physics
Research InstitutionShinshu University

Principal Investigator

HIGUCHI Masahiko  信州大学, 理学部, 教授 (10292202)

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)
Project Period (FY) 2011 – 2013
Project Status Completed (Fiscal Year 2013)
Budget Amount *help
¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2013: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2012: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2011: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Keywords動的CDFT / 電流誘起 / 拡張された制限つき探索理論 / 相対論的強束縛近似法 / 超伝導 / 磁場印加 / メタマテリアル / 磁場下電子構造 / 磁気的ブロッホの定理 / 磁場下超伝導体 / 超伝導CDFT / 電流密度汎関数理論 / 静的CDFT / 強束縛近似 / 相対論的効果 / 時間依存密度汎関数理論 / 有限温度ECS理論 / 動的ECS理論 / 交換相関エネルギー汎関数 / 交換相関ポテンシャル / 磁気的ブロッホ定理
Research Abstract

In this study, we have mainly performed three topics of research as follows:
(1)Dynamical CDFT: On the basis of the Hamiltonian which explicitly includes the internal electromagnetic field, we developed the dynamical CDFT. Concerning the exchange-correlation energy functional that is contained in the resultant single-particle equation of the dynamical CDFT, we also proposed adiabatic approximation called AVEA. (2)Tight-binding method for solids immersed in a magnetic field: We developed the relativistic tight-binding method for solids immersed in an external magnetic field. We also applied this method to the crystalline silicon immersed in an external magnetic field. (3)Static CDFT for superconductors immersed in a magnetic field: We developed the static CDFT for superconductors immersed in a magnetic field. This theory can reproduce the superconducting order parameter which has various spin symmetry and dependence of the center of mass coordinate.

Report

(4 results)
  • 2013 Annual Research Report   Final Research Report ( PDF )
  • 2012 Research-status Report
  • 2011 Research-status Report
  • Research Products

    (53 results)

All 2014 2013 2012 2011

All Journal Article (28 results) (of which Peer Reviewed: 28 results) Presentation (23 results) (of which Invited: 7 results) Book (2 results)

  • [Journal Article] Recent Development of the Pair Density Functional Theory2014

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      Quantum Matter

      Volume: (in print)

    • Related Report
      2013 Annual Research Report 2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] A Proposal of the Approximate Kinetic Energy Functional of the Pair Density Functional Theory2014

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: (in print)

    • NAID

      120007100257

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] A Proposal of the Approximate Kinetic Energy Functional of the Pair Density Functional Theory2014

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 印刷中

    • NAID

      120007100257

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pair Density Functional Theory2013

    • Author(s)
      M. Higuchi and K. Higuchi
    • Journal Title

      Computational and Theoretical Chemistry

      Volume: 1003 Pages: 91-96

    • Related Report
      2013 Final Research Report 2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Relativistic tight-binding approximation method for materials immersed in the magnetic field2013

    • Author(s)
      K. Higuchi, D. B. Hamal, K. Yamamoto and M. Higuchi
    • Journal Title

      Trans. Mater. Res. Soc. Jpn

      Volume: 38 Pages: 663-665

    • NAID

      130005004275

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Checking the validity of the correlated Thomas-Fermi functional in the pair density functional theory2013

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      J. Phys. : Conference Series

      Volume: 454

    • NAID

      120007101178

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Scaling method of the pair density functional theory in combination with energy functionals satisfying the virial theorem : Checking the validity via atomic structure calculations2013

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      Phys. Rev

      Volume: A87

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Current-Density Functional Theory for a Superconductor2013

    • Author(s)
      K. Higuchi, K. Koide, T. Imanishi and M. Higuchi
    • Journal Title

      Int. J. Quantum Chem

      Volume: 113 Pages: 709-714

    • NAID

      130008148040

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Current-Density Functional Theory for a Superconductor2013

    • Author(s)
      K. Higuchi, K. Koide, T. Imanishi and M. Higuchi
    • Journal Title

      Int. J. Quantum Chem.

      Volume: 113 Pages: 709-714

    • NAID

      130008148040

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Scaling method of the pair density functional theory in combination with energy functionals satisfying the virial theorem: Checking the validity via atomic structure calculations2013

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      Phys. Rev. A

      Volume: 87

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Checking the validity of the correlated Thomas-Fermi functional in the pair density functional theory2013

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      J. Phys.: Conference Series.

      Volume: 454

    • NAID

      120007101178

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Relativistic tight-binding approximation method for materials immersed in the magnetic field2013

    • Author(s)
      K. Higuchi, D. B. Hamal, K. Yamamoto and M. Higuchi
    • Journal Title

      Trans. Mater. Res. Soc. Jpn.

      Volume: 38 Pages: 663-665

    • NAID

      130005004275

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Scaling method of the pair density functional theory in combination with energy functionals satisfying the virial theorem: Checking the validity via atomic structure calculations2013

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      Physical Review A

      Volume: 87 Issue: 3

    • DOI

      10.1103/physreva.87.032511

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Extension of the search region of pair densities by means of the scaling of the electron coordinates2012

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      Journal of Physics : Conference Series

      Volume: 400

    • NAID

      120007101169

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Coupling-constant expression and exact relations for the kinetic energy functional in the pair density functional theory2012

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      Phys. Rev

      Volume: A85

    • NAID

      120007114302

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] An alternative scheme for calculating the unrestricted Hartree-Fock equation : application to the boron and neon atoms2012

    • Author(s)
      M. Miyasita, K. Higuchi and M. Higuchi
    • Journal Title

      Physica

      Volume: B407 Pages: 2758-2762

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Coupling-constant expression and exact relations for the kinetic energy functional in the pair density functional theory2012

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      Physical Review A

      Volume: 85 Issue: 6

    • DOI

      10.1103/physreva.85.062508

    • NAID

      120007114302

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Extension of the search region of pair densities by means of the scaling of the electron coordinates2012

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      Journal of Physics: Conference Series

      Volume: 400 Issue: 3 Pages: 032019-032019

    • DOI

      10.1088/1742-6596/400/3/032019

    • NAID

      120007101169

    • Related Report
      2012 Research-status Report 2011 Research-status Report
    • Peer Reviewed
  • [Journal Article] An alternative scheme for calculating the unrestricted Hartree-Fock equation: application to the boron and neon atoms2012

    • Author(s)
      M. Miyasita, K. Higuchi and M. Higuchi
    • Journal Title

      Physica B

      Volume: 407 Issue: 14 Pages: 2758-2762

    • DOI

      10.1016/j.physb.2012.04.022

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Current-density functional theory for a superconductor2012

    • Author(s)
      K.Higuchi, K.Koide, T.Imanishi, M.Higuchi
    • Journal Title

      In.J.Quantum Chem.

      Volume: (印刷中) Issue: 5 Pages: 709-714

    • DOI

      10.1002/qua.24054

    • NAID

      130008148040

    • Related Report
      2012 Research-status Report 2011 Research-status Report
    • Peer Reviewed
  • [Journal Article] Self-consistent calculations of the atomic electron affinity and ionization energy with taking effects of the nonspherical distribution of electrons into account2011

    • Author(s)
      M. Miyasita, K. Higuchi and M. Higuchi
    • Journal Title

      J. Mod. Phys

      Volume: 2 Pages: 1161-165

    • NAID

      120007101170

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Correction Method for obtaining the variationally best ground-state pair density2011

    • Author(s)
      M. Higuchi and K. Higuchi
    • Journal Title

      Phys. Rev

      Volume: A84

    • NAID

      120007114301

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] A Scheme for Calculating Atomic Structures beyond the Spherical Approximation2011

    • Author(s)
      M. Miyasita, K. Higuchi and M. Higuchi
    • Journal Title

      J. Modern Phys

      Volume: 2 Pages: 421-430

    • NAID

      120007101171

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Exchange- Correlation Potentials of the CDFT in the Vorticity Expansion Approximation2011

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 80

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Density Functional Approach for Calculating the Diagonal Elements of the Second-Order Reduced Density Matrix : Restrictive Conditions on the Kinetic Energy Functional2011

    • Author(s)
      M. Higuchi and K. Higuchi
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 80

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] A Correction Method for obtaining the variationally best ground-state pair density2011

    • Author(s)
      M.Higuchi, K.Higuchi
    • Journal Title

      Phys.Rev.A

      Volume: 84 Issue: 4

    • DOI

      10.1103/physreva.84.044502

    • NAID

      120007114301

    • Related Report
      2011 Research-status Report
    • Peer Reviewed
  • [Journal Article] Exchange-Correlation Potentials of the CDFT in the Vorticity Expansion Approximation2011

    • Author(s)
      K. Higuchi and M. Higuchi
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 80 Issue: Suppl.A Pages: SA123-SA123

    • DOI

      10.1143/jpsjs.80sa.sa123

    • Related Report
      2011 Research-status Report
    • Peer Reviewed
  • [Journal Article] Density Functional Approach for Calculating the Diagonal Elements of the Second-Order Reduced Density Matrix : Restrictive Conditions on the Kinetic Energy Functional2011

    • Author(s)
      M.Higuchi, K.Higuchi
    • Journal Title

      J.Phys.Soc.Jpn.

      Volume: 80 Issue: Suppl.A Pages: SA122-SA122

    • DOI

      10.1143/jpsjs.80sa.sa122

    • Related Report
      2011 Research-status Report
    • Peer Reviewed
  • [Presentation] Finite-Temperature Pair-Density Functional Theory2014

    • Author(s)
      M. Higuchi and K. Higuchi
    • Organizer
      Collaborative Conference on Materials Research (CCMR) 2014
    • Place of Presentation
      Seoul, South Korea
    • Related Report
      2013 Final Research Report
    • Invited
  • [Presentation] Current-density functional theory for superconductors2014

    • Author(s)
      K. Higuchi and M. Higuchi
    • Organizer
      Collaborative Conference on Materials Research (CCMR) 2014
    • Place of Presentation
      Seoul, South Korea
    • Related Report
      2013 Final Research Report
    • Invited
  • [Presentation] Current-density functional theory for superconductors2014

    • Author(s)
      K. Higuchi
    • Organizer
      Collaborative Conference on Materials Research (CCMR) 2014
    • Place of Presentation
      Seoul, Korea
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] )Finite-Temperature Pair-Density Functional Theory2014

    • Author(s)
      M. Higuchi
    • Organizer
      Collaborative Conference on Materials Research (CCMR) 2014
    • Place of Presentation
      Seoul, Korea
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Pair Density Functional Theory by means of the Scaling Method2013

    • Author(s)
      M. Higuchi and K. Higuchi
    • Organizer
      15th International Conference on Density Functional Theory and it's Applications
    • Place of Presentation
      Durham, United Kingdom
    • Related Report
      2013 Annual Research Report 2013 Final Research Report
  • [Presentation] Current-Density Functional Theory for Singlet Superconductors2013

    • Author(s)
      K. Higuchi and M. Higuchi
    • Organizer
      15th International Conference on Density Functional Theory and it's Applications
    • Place of Presentation
      Durham, United Kingdom
    • Related Report
      2013 Annual Research Report 2013 Final Research Report
  • [Presentation] Current-Density Functional Theory for Superconductors Immersed in an External Magnetic Field2013

    • Author(s)
      K. Ichinose, H. Niwa, T. Imanishi, K. Higuchi and M. Higuchi
    • Organizer
      The International Conference on Strongly Correlated Electron systems (SCES) 2013
    • Place of Presentation
      Tokyo, Japan
    • Related Report
      2013 Annual Research Report 2013 Final Research Report
  • [Presentation] Reproduction of the Diagonal Element of the 2nd-Order Reduced Density Matrix via the Pair-Density Functional Theory2013

    • Author(s)
      K. Higuchi, K. Ichinose and M. Higuchi
    • Organizer
      The International Conference on Strongly Correlated Electron systems (SCES) 2013
    • Place of Presentation
      Tokyo, Japan
    • Related Report
      2013 Annual Research Report 2013 Final Research Report
  • [Presentation] Pair Density Functional Theory2013

    • Author(s)
      M. Higuchi and K. Higuchi
    • Organizer
      Collaborative Conference on Materials Research (CCMR) 2013
    • Place of Presentation
      Jeju Island, South Korea
    • Related Report
      2013 Final Research Report
    • Invited
  • [Presentation] Current-Density Functional Theory for the Singlet Superconductor Immersed in the Magnetic Field2013

    • Author(s)
      K. Higuchi, K. Ichinose and M. Higuchi
    • Organizer
      Collaborative Conference on Materials Research (CCMR) 2013
    • Place of Presentation
      Jeju Island, South Korea
    • Related Report
      2013 Final Research Report
  • [Presentation] Current-Density Functional Theory for the Singlet Superconductor Immersed in the Magnetic Field2013

    • Author(s)
      K. Higuchi, K. Ichinose and M. Higuchi
    • Organizer
      Collaborative Conference on Materials Research (CCMR) 2013
    • Place of Presentation
      Jeju Island, Korea
    • Related Report
      2013 Annual Research Report
  • [Presentation] Pair Density Functional Theory2013

    • Author(s)
      M. Higuchi and K. Higuchi
    • Organizer
      Collaborative Conference on Materials Research (CCMR) 2013
    • Place of Presentation
      Jeju Island, Korea
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 金属の微視的な電磁応答理論I2013

    • Author(s)
      高橋栄也、樋口克彦、樋口雅彦、志水久
    • Organizer
      日本物理学会 2013年秋季大会
    • Place of Presentation
      徳島大学
    • Related Report
      2013 Annual Research Report
  • [Presentation] Pair density functional thoery2013

    • Author(s)
      M. Higuchi and K. Higuchi
    • Organizer
      Collaborative Conference on Materials Research (CCMR) 2013
    • Place of Presentation
      Jeju island, South Korea
    • Related Report
      2012 Research-status Report
    • Invited
  • [Presentation] Correction method of the pair density functional theory and its application to atomic structure calculations2012

    • Author(s)
      K. Higuchi and M. Higuchi
    • Organizer
      Conference on Computational Physics (CCP2012)
    • Place of Presentation
      Kobe, Japan
    • Related Report
      2013 Final Research Report 2012 Research-status Report
  • [Presentation] Relativistic tight-binding approximation method for materials applied by an external magnetic field and its application to silicon with vacancies2012

    • Author(s)
      M. Higuchi, K. Yamamoto and K. Higuchi
    • Organizer
      IUMRS-International Conference on Electronic Materials
    • Place of Presentation
      Yokohama, Japan
    • Related Report
      2013 Final Research Report 2012 Research-status Report
  • [Presentation] Density functional scheme for superconductors applied by an external magnetic field2012

    • Author(s)
      K. Higuchi, T. Imanishi, K. Ichinose and M. Higuchi
    • Organizer
      IUMRS-International Conference on Electronic Materials
    • Place of Presentation
      Yokohama, Japan
    • Related Report
      2013 Final Research Report 2012 Research-status Report
  • [Presentation] An Effective Method to Extend the Search Region of Pair Densities in the Pair Density Functional Theory2011

    • Author(s)
      K. Higuchi and M. Higuchi
    • Organizer
      14th International Conference Density functional Theory in Chemistry, Physics and Biology
    • Place of Presentation
      Athens, Greece
    • Related Report
      2013 Final Research Report
  • [Presentation] Exchange- Correlation Energy Functional of the Current- Density Functional Theory for Superconductors2011

    • Author(s)
      M. Higuchi and K. Higuchi
    • Organizer
      14th International Conference Density functional Theory in Chemistry, Physics and Biology
    • Place of Presentation
      Athens, Greece
    • Related Report
      2013 Final Research Report
  • [Presentation] A proposal of the kinetic energy functional for the pair density functional theory2011

    • Author(s)
      K. Higuchi and M. Higuchi
    • Organizer
      26th International Conference on Low Temperature Physics
    • Place of Presentation
      Beijing, China
    • Related Report
      2013 Final Research Report 2011 Research-status Report
  • [Presentation] Current-Density Functional Theory for Superconductors2011

    • Author(s)
      M. Higuchi, K. Koide, T. Imanishi and K. Higuchi
    • Organizer
      26th International Conference on Low Temperature Physics
    • Place of Presentation
      Beijing, China
    • Related Report
      2013 Final Research Report 2011 Research-status Report
  • [Presentation] An Effective Method to Extend the Search Region of Pair Densities in the Pair Density Functional Theory2011

    • Author(s)
      K. Higuchi and M. Higuchi
    • Organizer
      14th International Conference on Density functional Theory in Chemistry, Physics and Biology
    • Place of Presentation
      Athens, Greece
    • Related Report
      2011 Research-status Report
  • [Presentation] Exchange-Correlation Energy Functional of the Current- Density Functional Theory for Superconductors2011

    • Author(s)
      M. Higuchi and K. Higuchi
    • Organizer
      14th International Conference on Density functional Theory in Chemistry, Physics and Biology
    • Place of Presentation
      Athens, Greece
    • Related Report
      2011 Research-status Report
  • [Book] 密度汎関数理論の発展とマテリアルデザインへの応用2011

    • Author(s)
      樋口克彦, 樋口雅彦, 他21名 共著 (赤井久純, 白井光雲 編)
    • Publisher
      シュプリンガージャパン
    • Related Report
      2013 Final Research Report
  • [Book] 密度汎関数法の発展 マテリアルデザインへの応用2011

    • Author(s)
      樋口雅彦、樋口克彦 他 21名共著
    • Total Pages
      366
    • Publisher
      シュプリンガージャパン
    • Related Report
      2011 Research-status Report

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Published: 2011-08-05   Modified: 2019-07-29  

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