• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Development of a new scheme of energy-band calculation on the basis of the extended constrained-search theory

Research Project

Project/Area Number 19540399
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Mathematical physics/Fundamental condensed matter physics
Research InstitutionShinshu University

Principal Investigator

HIGUCHI Masahiko  Shinshu University, 理学部, 准教授 (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) 2007 – 2010
Project Status Completed (Fiscal Year 2010)
Budget Amount *help
¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
Fiscal Year 2010: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2009: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2008: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2007: ¥520,000 (Direct Cost: ¥400,000、Indirect Cost: ¥120,000)
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 / 運動エネルギー汎関数 / 電流密度汎関数理論 / 総和則 / 有限温度 / 臨界磁場 / 対密度汎関数理論 / 相関運動エネルギー汎関数 / 拡張された制限付き探索理論 / 密度汎関数理論 / 交換・相関エネルギー汎関数
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.

Report

(6 results)
  • 2010 Annual Research Report   Final Research Report ( PDF )
  • 2009 Annual Research Report   Self-evaluation Report ( PDF )
  • 2008 Annual Research Report
  • 2007 Annual Research Report
  • Research Products

    (86 results)

All 2011 2010 2009 2008 2007 Other

All Journal Article (48 results) (of which Peer Reviewed: 48 results) Presentation (36 results) Book (2 results)

  • [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. 80

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Exchange-Correlation Potentials of the CDFT in the Vorticity Expansion Approximation2011

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

      J.Phys.Soc.Jpn. 80

    • Related Report
      2010 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, K.Higuchi
    • Journal Title

      J.Phys.Soc.Jpn.

      Volume: (印刷中)

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Exchange-Correlation Potentials of the CDFT in the Vorticity Expansi on Approximation2011

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

      J.Phys.Soc.Jpn.

      Volume: (印刷中)

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Sum rules for the exchange-correlation energy functional of the extended constrained-search theory : application to checking the validity of the vorticity expansion approximation of the current-density functional theory2010

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

      Phys.Rev.A. 81

      Pages: 42505-42505

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Computational pair density functional theory : a proposal of the kinetic energy functional2010

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

      Phys.Rev.B. 82

      Pages: 155135-155135

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] A constraint on the approximate form of the kinetic energy functional of the pair density functional theory2010

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

      Int.J.Quantum Chem. 110

      Pages: 2286-2286

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Checking the validity of the Vorticity expansion approximation of the current-density functional theory2010

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

      Int.J.Quantum Chem. 110

      Pages: 2283-2283

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Computational pair density functional theory: a proposal of the kinetic energy functional2010

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

      Phys.Rev.B

      Volume: 82

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A restrictive condition on approximate forms of the kinetic energy functional of the pair density functional theory2010

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

      Int.J.Quantum Chemistry

      Volume: 110 Pages: 2286-2289

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Checking the validity of the Vorticity expansion approximation of the current-density functional theory2010

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

      Int.J.Quantum Chemistry

      Volume: 110 Pages: 2283-2285

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Sum rules for the exchange-correlation energy functional of the extended constrained-search theory : application to checking the validity of the vorticity expansion approximation of the current-density functional theory2010

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

      Phys.Rev.A. 81

      Pages: 42505-42505

    • Related Report
      2009 Self-evaluation Report
    • Peer Reviewed
  • [Journal Article] Sum rules for the exchange-correlation energy functional of the extended constrained-search theory : application to checking the validity of the vorticity expansion approximation of the current-density functional theory2010

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

      Phys.Rev.A 81

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A restrictive condition on approximate forms of the kinetic energy functional of the pair density functional theory2010

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

      Int.J.Quantum Chemistry (In press)

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Checking the validity of the Vorticity expansion approximation of the current-density functional theory2010

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

      Int.J.Quantum Chemistry (In press)

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A pair density functional theory utilizing the correlated wave function2009

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

      J.Phys.:Conference Series 150

      Pages: 42056-42056

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Kinetic energy contribution to the exchange-correlation energy functional of the extended-constrained search theory2009

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

      Phys.Rev.A. 79

      Pages: 22113-22113

    • NAID

      120007114299

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Computational scheme for the ground-state pair density2009

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

      J.Phys.:Condens.Matter. 21

      Pages: 64206-64206

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Kinetic energy contribution to the exchange-correlation energy functional of the extended-constrained search theory2009

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

      Phys.Rev.A. 79

      Pages: 22113-22113

    • NAID

      120007114299

    • Related Report
      2009 Self-evaluation Report
    • Peer Reviewed
  • [Journal Article] Computational scheme for the ground-state pair density2009

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

      J.Phys.Condens.Matter 21

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Kinetic energy contribution to the exchange-correlation energy functional of the extended-constrained search theory2009

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

      Phys.Rev.A 79

    • NAID

      120007114299

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A pair density functional theory utilizing the correlated wave function2009

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

      J. Phys. : Conference Series 150

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Evaluation of the kinetic energy contribution to the exchange-correlation energy functional in the extended constrained-search theory : Application to the current density functional theory2009

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

      J. Phys. : Conference Series 150

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Kinetic energy contribution to the exchange-correlation energy functional of the extended-constrained search theory2009

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

      Phys. Rev. A 79

    • NAID

      120007114299

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Computational scheme for the ground-state pair density2009

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

      J. Phys. Condens. Matter 21

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A pair density functional theory utilizing the noninteracting reference system : an effective initial theory2008

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

      Phys.Rev.B. 78

      Pages: 125101-125101

    • NAID

      120007114295

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] A scheme for calculating the orbital-dependent exchange-correlation potential using the virial theorem : Application to atomic systems2008

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

      Phys.Rev.A 78

      Pages: 12501-12501

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] A pair density functional theory utilizing the noninteracting reference system : an effective initial theory2008

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

      Phys.Rev.B. 78

      Pages: 125101-125101

    • NAID

      120007114295

    • Related Report
      2009 Self-evaluation Report
    • Peer Reviewed
  • [Journal Article] Pair density functional theory utilizing the noninteracting reference system : An effective initial theory2008

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

      Phys. Rev. B 78

    • NAID

      120007114295

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Scheme for calculating the orbital-dependent exchange-correlation potential using the virial theorem : Application to atomic systems2008

    • Author(s)
      M. Kodera, M. Higuchi. A. Narita, M. Hieuchi
    • Journal Title

      Phys. Rev. A 78

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Consideration of the effect of the nonspherical distribution of electrons in atomic structures2008

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

      Mater. Trans. 49

      Pages: 1893-1899

    • NAID

      10024271293

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pair density functional theory by means of the correlated wave function2007

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

      Phys.Rev.A 75

      Pages: 42510-42510

    • NAID

      120000879776

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Evaluation of the vorticity expansion approximation of the CDFT by means of Levy's asymptotic bound2007

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

      Phys.Rev.B 75

      Pages: 195114-195114

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] A proposal of the approximate scheme for calculating the pair density2007

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

      Physica B 387

      Pages: 117-117

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Density functional scheme for calculating the ground-state pair density2007

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

      J.Magn.Magn.Mater. 310

      Pages: 990-990

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Simultaneous equations for calculating the ground-state pair density2007

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

      J.Phys.:Condens.Matter 19

      Pages: 365219-365219

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] New practicable forms for exchange and correlation energy functionals of the CDFT2007

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

      J.Magn.Magn.Mater. 310

      Pages: 1065-1065

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Comparison between the vorticity expansion approximation and the local density approximation of the CDFT from the viewpoint of sum rules2007

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

      J.Phys.:Condens.Matter 19

      Pages: 365216-365216

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Simultaneous equations for calculating the ground-state pair density2007

    • Author(s)
      M. Higuchi, et. al.
    • Journal Title

      J. Phys. Condens. Matter 19

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Evaluation of vorticity expansion approximation of current-density functional theory by means of Levy's asymptotic bound2007

    • Author(s)
      M. Higuchi, et. al.
    • Journal Title

      Phys. Rev. B 75

    • NAID

      120000879780

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pair density-functional theory by means of the correlated wave function2007

    • Author(s)
      M. Higuchi, et. al.
    • Journal Title

      Phys. Rev. A 75

    • NAID

      120000879776

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Proposal for Calculating the Orbital-Dependent Exchange-Correlation Potential by Means of the Virial Theorem2007

    • Author(s)
      M. Kodera, et. al.
    • Journal Title

      J. Phys. Soc. Jpn. 76

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Comparison between the vorticity expansion approximation and the local density approximation of the CDFT from the viewpoint of sum rules2007

    • Author(s)
      K. Higuchi, et. al.
    • Journal Title

      J. Phys. Condens. Matter 19

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A proposal of the approximate scheme for calculating the pair density2007

    • Author(s)
      M. Higuchi, et. al.
    • Journal Title

      Physica B 387

      Pages: 117-121

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] OEP Atomic-structure calculations with Moller-Plesset correlation and orbital polarization2007

    • Author(s)
      M. Kodera, et. al.
    • Journal Title

      J. Mag. & Mag. Mater. 310

      Pages: 1623-1625

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] New Practicable Forms for Exchange and Correlation Energy Functionals of the CDFT2007

    • Author(s)
      K. Higuchi, et. al.
    • Journal Title

      J. Mag. & Mag. Mater. 310

      Pages: 1065-1066

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Density functional scheme for calculating the ground-state pair density2007

    • Author(s)
      M. Higuchi, et. al.
    • Journal Title

      J. Mag. & Mag. Mater. 310

      Pages: 990-992

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article]

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Presentation] Current-Density Functional Theory for Superconductors2011

    • Author(s)
      M.Higuchi, K.Koide, T.Imanishi, K.Higuchi
    • Organizer
      26th International Conference on Low Temperature Physics
    • Place of Presentation
      Beijing,China.(発表決定)
    • Related Report
      2010 Final Research Report
  • [Presentation] Exchange-Correlation Energy Functional of the Current-Density Functional Theory for Superconductors2011

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      14th International Conference Density functional Theory in Chemistry Physics and Biology
    • Place of Presentation
      Athens, Greece.(発表決定)
    • Related Report
      2010 Final Research Report
  • [Presentation] A proposal of the kinetic energy functional for the pair density functional theory2011

    • Author(s)
      K.Higuchi, M.Higuchi
    • Organizer
      26th International Conference on Low Temperature Physics
    • Place of Presentation
      Beijing,China.(発表決定)
    • Related Report
      2010 Final Research Report
  • [Presentation] An Effective Method to Extend the Search Region of Pair Densities in the Pair Density Functional Theory2011

    • Author(s)
      K.Higuchi, M.Higuchi
    • Organizer
      14th International Conference Density functional Theory in Chemistry, Physics and Biology
    • Place of Presentation
      Athens, Greece.(発表決定)
    • Related Report
      2010 Final Research Report
  • [Presentation] Density Functional Approach to Calculate the Diagonal Elements of the Second-Order Reduced Density Matrix2010

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      International Conference on Heavy Electrons 2010
    • Place of Presentation
      Tokyo, Japan.
    • Year and Date
      2010-09-19
    • Related Report
      2010 Final Research Report
  • [Presentation] Exchange-Correlation Potentials of the CDFT in the Vorticity Expansion Approximation2010

    • Author(s)
      K.Higuchi, M.Higuchi
    • Organizer
      International Conference on Heavy Electrons 2010
    • Place of Presentation
      Tokyo, Japan.
    • Year and Date
      2010-09-19
    • Related Report
      2010 Final Research Report
  • [Presentation] Density Functional Approach to Calculate the Diagonal Elements of the Second-Order Reduced Density Matrix2010

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      International Conference on Heavy Electrons 2010
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2010-09-19
    • Related Report
      2010 Annual Research Report
  • [Presentation] Exchange-Correlation Potentials of the CDFT in the Vorticity Expansion Approximation2010

    • Author(s)
      K.Higuchi, M.Higuchi
    • Organizer
      International Conference on Heavy Electrons 2010
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2010-09-19
    • Related Report
      2010 Annual Research Report
  • [Presentation] A computational pair density functional theory using multiple Slater determinants2010

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      Ψkconference 2010
    • Place of Presentation
      Berlin, Germany.
    • Year and Date
      2010-09-14
    • Related Report
      2010 Final Research Report
  • [Presentation] New restrictive conditions on the exchange-correlation energy functional of the extended constrained-search theory and their applications to the evaluation of the vorticity expansion approximation2010

    • Author(s)
      K.Higuchi, M.Higuchi
    • Organizer
      Ψkconference 2010
    • Place of Presentation
      Berlin, Germany.
    • Year and Date
      2010-09-14
    • Related Report
      2010 Final Research Report
  • [Presentation] A computational pair density functional theory using multiple Slater determinants2010

    • Author(s)
      M.Higuchi, M.Higuchi
    • Organizer
      Ψk conference 2010
    • Place of Presentation
      Berlin, Germany
    • Year and Date
      2010-09-13
    • Related Report
      2010 Annual Research Report
  • [Presentation] New restrictive conditions on the exchange-correlation energy functional of the extended constrained-search theory and their applications to the evaluation of the vorticity expansion approximation2010

    • Author(s)
      K.Higuchi, M.Higuchi
    • Organizer
      Ψk conference 2010
    • Place of Presentation
      Berlin, Germany
    • Year and Date
      2010-09-13
    • Related Report
      2010 Annual Research Report
  • [Presentation] Calculation of the ground-state pair density on the basis of the computational pair density functional theory2009

    • Author(s)
      K.Higuchi, M.Higuchi
    • Organizer
      International Workshop on Frontiers in Density Functional Theory
    • Place of Presentation
      New York, USA.(招待講演)
    • Year and Date
      2009-09-15
    • Related Report
      2010 Final Research Report
  • [Presentation] Calculation of the ground-state pair density on the basis of the computational pair density functional theory2009

    • Author(s)
      K. Higuchi, M. Higuchi
    • Organizer
      International Workshop on Frontiers in Density Functional Theory
    • Place of Presentation
      New York, USA
    • Year and Date
      2009-09-15
    • Related Report
      2009 Self-evaluation Report
  • [Presentation] Calculation of the ground-state pair density on the basis of the computational pair density functional theory (invited)2009

    • Author(s)
      K.Higuchi, M.Higuchi
    • Organizer
      International Workshop on Frontiers in Density Functional Theory
    • Place of Presentation
      New York, USA
    • Year and Date
      2009-09-15
    • Related Report
      2009 Annual Research Report
  • [Presentation] Computational scheme for calculating the pair density2009

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      The 13th International Conference on Application of Density Functional Theory in Chemistry and Physics
    • Place of Presentation
      Lyon, France.
    • Year and Date
      2009-09-02
    • Related Report
      2010 Final Research Report
  • [Presentation] Computational scheme for calculating the pair density2009

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      The 13th International Conference on Application of Density Functional Theory in Chemistry and Physics
    • Place of Presentation
      Lyon, France,
    • Year and Date
      2009-08-31
    • Related Report
      2009 Annual Research Report
  • [Presentation] Vorticity expansion approximation for the exchange-correlation energy functional of the current-density functional theory2009

    • Author(s)
      K.Higuchi, M.Higuchi
    • Organizer
      The 13th International Conference on Application of Density Functional Theory in Chemistry and Physics
    • Place of Presentation
      Lyon, France,
    • Year and Date
      2009-08-31
    • Related Report
      2009 Annual Research Report
  • [Presentation] Computational pair density functional theory (invited)2009

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      The 2nd International Symposium and Workshop on Correlated Electrons in Matter
    • Place of Presentation
      Tennessee, USA
    • Year and Date
      2009-04-03
    • Related Report
      2009 Annual Research Report
  • [Presentation] Computational pair density functional theory2009

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      The 2nd International Symposium and Workshop on Correlated Electrons in Matter
    • Place of Presentation
      Gatlinburg, USA.(招待講演)
    • Year and Date
      2009-04-02
    • Related Report
      2010 Final Research Report
  • [Presentation] Computational pair density functional theory2009

    • Author(s)
      M. Higuchi, K. Higuchi
    • Organizer
      The 2nd International Symposium and Workshop on Correlated Electrons in Matter
    • Place of Presentation
      Gatlinburg, USA
    • Year and Date
      2009-04-02
    • Related Report
      2009 Self-evaluation Report
  • [Presentation] Computational pair density functional theory2008

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      The 11th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Kaohsiung, Taiwan.(招待講演)
    • Year and Date
      2008-11-03
    • Related Report
      2010 Final Research Report
  • [Presentation] Computational pair density functional theory2008

    • Author(s)
      M. Higuchi, K. Higuchi
    • Organizer
      The 11th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Kaohsiung, Taiwan
    • Year and Date
      2008-11-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] A pair density functional theory utilizing the correlated wave function2008

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      25th international conference on Low Temperature Physics
    • Place of Presentation
      Amsterdam, Netherland.
    • Year and Date
      2008-08-10
    • Related Report
      2010 Final Research Report
  • [Presentation] A pair density functional theory utilizing the correlated wave function2008

    • Author(s)
      M. Higuchi, K. Higuchi
    • Organizer
      25th international conference on Low Temperature Physics
    • Place of Presentation
      Amsterdam, Netherland
    • Year and Date
      2008-08-08
    • Related Report
      2008 Annual Research Report
  • [Presentation] Evaluation of the kinetic energy contribution to the exchange-correlation energy functional in the cxtended constrained-search theory : Application to the current density functional theory2008

    • Author(s)
      K. Higuchi, M. Higuchi
    • Organizer
      25th international conference on Low Temperature Physics
    • Place of Presentation
      Amsterdam, Netherland
    • Year and Date
      2008-08-08
    • Related Report
      2008 Annual Research Report
  • [Presentation] Computational scheme for the ground-state pair density2008

    • Author(s)
      K.Higuchi, M.Higuchi
    • Organizer
      International Conference on Quantum Simulators and Design 2008
    • Place of Presentation
      Tokyo, Japan.
    • Year and Date
      2008-06-01
    • Related Report
      2010 Final Research Report
  • [Presentation] Computational scheme for the ground-state pair density2008

    • Author(s)
      K. Higuchi, M. Hieuchi
    • Organizer
      International Conference on Quantum Simulators and Design 2008
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2008-06-01
    • Related Report
      2008 Annual Research Report
  • [Presentation] Atomic-Structure calculations with orbital-dependent exchange potential satisfying the virial theorem2008

    • Author(s)
      M. Kodera, K. Higuchi, A. Nita, M. Higuchi
    • Organizer
      International Conference on Quantum Simulators and Design 2008
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2008-06-01
    • Related Report
      2008 Annual Research Report
  • [Presentation] Atomic structure calculations with the effect of the nonspherieal distribution of electrons taken into account2008

    • Author(s)
      M. Miyasita, K. Higuchi, A. Narita, M. Higuchi
    • Organizer
      International Conference on Quantum Simulators and Design 2008
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2008-06-01
    • Related Report
      2008 Annual Research Report
  • [Presentation] Pair Density Functional Theory by means of the Jastrow Wave Function2007

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      12th international Conference on the Applications of Density Functional Theory in Chemistry and Physics
    • Place of Presentation
      Amsterdam,The Netherlands.
    • Year and Date
      2007-08-28
    • Related Report
      2010 Final Research Report
  • [Presentation] Vorticity Expansion Approximation of the Exchange-Correlation Energy Functional in Current-Density Functional Theory2007

    • Author(s)
      K.Higuchi, M.Higuchi
    • Organizer
      12th international Conference on the Applications of Density Functional Theory in Chemistry and Physics
    • Place of Presentation
      Amsterdam, The Netherlands.
    • Year and Date
      2007-08-28
    • Related Report
      2010 Final Research Report
  • [Presentation] Pair Density Functional Theory by means of the Jastrow Wave Function2007

    • Author(s)
      M. Higuchi, et. al.
    • Organizer
      12th international Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT2007)
    • Place of Presentation
      Amsterdam, The Netherlands
    • Year and Date
      2007-08-27
    • Related Report
      2007 Annual Research Report
  • [Presentation] Vorticity Expansion Approximation of the Exchange-Correlation Energy Functional in Current-Density Functional Theory2007

    • Author(s)
      K. Higuchi, et. al.
    • Organizer
      12th international Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT2007)
    • Place of Presentation
      Amsterdam, The Netherlands
    • Year and Date
      2007-08-27
    • Related Report
      2007 Annual Research Report
  • [Presentation] Extended Constrained Search Theory and its applications2007

    • Author(s)
      M.Higuchi, K.Higuchi
    • Organizer
      ISSP International Workshop and Symposium on Foundations and Applications of the Density Functional Theory
    • Place of Presentation
      Tokyo, Japan.(招待講演)
    • Year and Date
      2007-08-02
    • Related Report
      2010 Final Research Report
  • [Presentation] Extended Constrained Search Theory and its Applications2007

    • Author(s)
      M. Higuchi, et. al.
    • Organizer
      ISSP International Workshop and Symposium on Foundations and Applications of the Density Functional Theory
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2007-08-01
    • Related Report
      2007 Annual Research 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(シュプリンガージャパン)(赤井久純、白井光雲編)2011

    • Author(s)
      樋口雅彦、樋口克彦, 他21名共著
    • Publisher
      発刊予定
    • Related Report
      2010 Final Research 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)
      赤井久純、白井光雲編樋口雅彦、樋口克彦, 他21名共著
    • Publisher
      シュプリンガージャパン(印刷中)
    • Related Report
      2010 Annual Research Report

URL: 

Published: 2007-04-01   Modified: 2016-04-21  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi