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First-principles simulation for many-electron dynamics in femto-second scale

Research Project

Project/Area Number 18540366
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 InstitutionUniversity of Tsukuba

Principal Investigator

YABANA Kazuhiro  University of Tsukuba, 大学院・数理物質科学研究科, 教授 (70192789)

Co-Investigator(Kenkyū-buntansha) NAKATSUKASA Takashi  独立行政法人理化学研究所, 中務原子核理論研究室, 准主任研究員 (40333786)
HASHIMOTO Yukio  筑波大学, 大学院・数理物質科学研究科, 講師 (50189510)
OTOBE Tomohito  独立行政法人日本原子力研究開発機構, 研究員 (60421442)
Project Period (FY) 2006 – 2008
Project Status Completed (Fiscal Year 2008)
Budget Amount *help
¥3,980,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥480,000)
Fiscal Year 2008: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2007: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2006: ¥1,900,000 (Direct Cost: ¥1,900,000)
Keywords時間依存密度汎関数理論 / 第一原理計算 / 超高速現象 / 光物性 / 高強度超短パルスレーザー / 振動子強度 / クーロン爆発 / コヒーレントフォノン / フラーレン / 時間依存密度汎関数法 / 電子ダイナミクス / 強レーザー場科学 / 超短パルスレーザー / 量子シミュレーション / フェムト秒レーザー / 実時間・実空間計算
Research Abstract

時間依存密度汎関数理論に基づき、多電子の量子ダイナミクスを第一原理から記述するシミュレーション法を発展させ、高強度・超短パルスレーザーなどで誘起されるフェムト秒スケールでの電子運動を明らかにした。特筆すべき成果として、誘電体にパルスレーザーを照射して起こる光絶縁破壊現象に対して初めて微視的なメカニズムを明らかにしたこと、フラーレンなどサイズの大きな分子に対する高精度な振動子強度分布計算を可能にしたことが挙げられる。

Report

(4 results)
  • 2008 Annual Research Report   Final Research Report ( PDF )
  • 2007 Annual Research Report
  • 2006 Annual Research Report
  • Research Products

    (43 results)

All 2009 2008 2007 2006 Other

All Journal Article (25 results) (of which Peer Reviewed: 22 results) Presentation (18 results)

  • [Journal Article] Time-dependent density-functional theory simulation for electron-ion dynamics in molecules under intense laser pulses2009

    • Author(s)
      Y.Kawashita, T.Nakatsukasa, K.Yabana
    • Journal Title

      J. Phys. Cond. Matter 21(6)

      Pages: 64224-64224

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Iwata, First-principles calculation of the electron dynamics in crystalline SiO22009

    • Author(s)
      T.Otobe, K.Yabana, J.-I
    • Journal Title

      J. Phys. Cond. Matter 21(6)

      Pages: 64224-64224

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] TDDFT approach to photoabsorption in even-even nuclei2009

    • Author(s)
      T.Nakatsukasa, T.Inakura, K.Yabana
    • Journal Title

      Int. J. Mod. Phys A24

      Pages: 2159-2167

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Time-dependent demsity-functional theory simulation for electron-ion dynamics in molecules under intense laser pulses2009

    • Author(s)
      Y. Kawashita
    • Journal Title

      Journal of Physics Condensed Matter 21

      Pages: 64222-64222

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-principles calculation of the electron dynamics in crystalline SiO22009

    • Author(s)
      T. Otobe
    • Journal Title

      Journal of Physics Condensed Matter 21

      Pages: 64224-64224

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Time-dependent description for nuclear reaction dynamics in the continuum2008

    • Author(s)
      K.Yabana, T.Nakatsukasa, M.Ito
    • Journal Title

      Few-Body Systems 43(1-4)

      Pages: 247-253

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] BertschFirst-principles electron dynamics simulation for optical breakdown of dielectrics under an intense laser field2008

    • Author(s)
      T.Otobe, M.Yamagiwa, J.-I.Iwata, K.Yabana, T.Nakatsukasa
    • Journal Title

      Phys. Rev B77(16)

      Pages: 165104-165104

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Time-dependent approaches for reaction and responses of unstable nuclei2008

    • Author(s)
      T.Nakatsukasa, K.Yabana, M.Ito
    • Journal Title

      Eur. Phys. J. Special Topics 156

      Pages: 249-256

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Moment distributions of clusters and molecules in the adiabatic rotor model2008

    • Author(s)
      G.E.Ballentine, G.F.Bertsch, N.Onishi, K.Yabana
    • Journal Title

      Comp. Phys. Comm 178

      Pages: 48-51

    • Related Report
      2008 Final Research Report
  • [Journal Article] Time-dependent approaches for reaction and response in unstable nuclei2008

    • Author(s)
      T.Nakatsukasa, K.Yabana, M.Ito
    • Journal Title

      Eur. Phys. J. Special Topics 156

      Pages: 249-256

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Stochastic approachto correlation beyond the mean field with the Skyrme interaction2008

    • Author(s)
      T.Nakatsukasa, S.Shinohara, H.Ohta, K.Yabaa
    • Journal Title

      Nucl. Phys A805

      Pages: 347-349

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Time-dependent description for nuclear reaction dynamic in the continuum2008

    • Author(s)
      K. Yabana
    • Journal Title

      Few-body systems 43

      Pages: 247-253

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Time-dependent approaches for reaction and response in unstable nuclei2008

    • Author(s)
      T. Nakatsukasa
    • Journal Title

      Euro Physical Journal, Special Topics 156

      Pages: 249-256

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-principles electron dynamics simulation for optical breakdown of dielectrics under an intense laser field2008

    • Author(s)
      Tomohito Otobe
    • Journal Title

      Physical Review B 77

      Pages: 165104-165104

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Density-functional calculation for the tunnel ionization rate of hydrocarbon molecules2007

    • Author(s)
      T.Otobe, K.Yabana
    • Journal Title

      Phys. Rev A75

      Pages: 62507-62507

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] 多電子ダイナミクスの量子シミュレーション-時間依存密度汎関数理論の最近の発展-2007

    • Author(s)
      矢花一浩
    • Journal Title

      日本物理学会誌 62(6)

      Pages: 406-414

    • NAID

      110006279607

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Fusion reactions of halo nuclei : a real-time wave-packet method for three-body tunneling dynamics2007

    • Author(s)
      M.Ito, K.Yabana, T.Nakatsukasa, M.Ueda
    • Journal Title

      Nucl. Phys A787

      Pages: 267-274

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Real-time Skyrme TDHF dynamics of giant resonances2007

    • Author(s)
      T.Nakatsukasa, K.Yabana
    • Journal Title

      Nucl. Phys A788

      Pages: 349-354

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Finite amplitude method for the solution of the random-phase approximation2007

    • Author(s)
      T.Nakatsukasa, T.Inakura, K.Yabana
    • Journal Title

      Phys. Re C76

      Pages: 24318-24318

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Photoinduced electric currents in ring-shaped molecules by circularly polarized pulses2007

    • Author(s)
      K.Nobusada, K.Yabana
    • Journal Title

      Phys. Rev A75

      Pages: 32518-32518

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Density-functional calculation for the tunneling ionization rate of hydrocarbon molecules2007

    • Author(s)
      Tomohito Otobe
    • Journal Title

      Physica Review A 75

      Pages: 62507-62507

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Finite amplitude method for the solution of the random-phase approximation2007

    • Author(s)
      Takashi Nakatsukasa
    • Journal Title

      Physical Review C 76

      Pages: 24318-24318

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Photoinduced electric currents in ring-shaped molecules by circularly polarized pulses2007

    • Author(s)
      K.Nobusada, K.Yabana
    • Journal Title

      Physical Review A 75

      Pages: 32518-32518

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Configuration mixing calculation for complete low-lying spectra with a mean-field Hamiltonian2006

    • Author(s)
      S.Shinohara, H.Ohta, T.Nakatsukasa, K.Yabana
    • Journal Title

      Physical Review C 74

      Pages: 54315-54315

    • NAID

      120007131805

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Oscillator strength distribution of C60 in the time-dependent density functional theory

    • Author(s)
      Y.Kawashita, K.Yabana, M.Noda, K.Nobusada, T.Nakatsukasa
    • Journal Title

      J. Mol. Struct. THEOCHEM (in press)

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Presentation] First-principles simulation for electron-ionn dynamics in molecules and dielectrics under an intense laser pulse2009

    • Author(s)
      K. Yabana
    • Organizer
      COAST/CORAL Symposium on Ultrafast Intense Laser Science in Karuizawa
    • Place of Presentation
      長野県軽井沢町
    • Year and Date
      2009-03-13
    • Related Report
      2008 Annual Research Report
  • [Presentation] フェムト・アト秒ダイナミクスの計算科学2009

    • Author(s)
      矢花一浩
    • Organizer
      第2回極限コヒーレント光科学ワークショップ「極限波長領域における光科学の新展開」
    • Place of Presentation
      千葉県柏市
    • Year and Date
      2009-03-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] First-principles simulation for electron-ion dynamics in molecules and dielectrics under an intense laser pulse2009

    • Author(s)
      K.Yabana
    • Organizer
      COAST/CORAL symposium on ultrafast intense laser science in Karuizawa
    • Place of Presentation
      Karuizawa, Japan
    • Related Report
      2008 Final Research Report
  • [Presentation] 密度汎関数理論の多彩なフロンティア2008

    • Author(s)
      矢花一浩
    • Organizer
      「原子核物理学の展望」研究会
    • Place of Presentation
      埼玉県和光市
    • Year and Date
      2008-11-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] Dynamics in dielectrics induced by ultrashort laser pulses2008

    • Author(s)
      K. Yabana
    • Organizer
      Symposium on time-dependent density functi onal theory: prospects and applications
    • Place of Presentation
      ベナスケ(スペイン)
    • Year and Date
      2008-09-13
    • Related Report
      2008 Annual Research Report
  • [Presentation] Time-dependent mean-field theory in nuclear and electronic systems2008

    • Author(s)
      K.Yabana
    • Organizer
      6^<th> Japan-Italy Symposium on heavy-ion physics
    • Place of Presentation
      Tokai, Japan
    • Related Report
      2008 Final Research Report
  • [Presentation] Dynamics in dielectrics induced by ultrashort laser pulses2008

    • Author(s)
      K.Yabana
    • Organizer
      Time-dependent density-functional theory : prospects and applications, Benasque, Spain
    • Related Report
      2008 Final Research Report
  • [Presentation] TDDFT for fermionic dynamics : Coulomb vs nuclear systems2008

    • Author(s)
      K.Yabana
    • Organizer
      JUSTIPEN-EFES-Hokudai-UNEDF meeting
    • Place of Presentation
      Onuma, Japan
    • Related Report
      2008 Final Research Report
  • [Presentation] Simulation for electron dynamics in solid under intense laser pulse2008

    • Author(s)
      K.Yabana
    • Organizer
      ISSP Int.Symp.on "Frontiers and applications of the density functional theory
    • Place of Presentation
      Tokyo, Japan
    • Related Report
      2008 Final Research Report
  • [Presentation] TDDFT Description for Laser-Induced Breakdown in Dielectrics2007

    • Author(s)
      K. Yabana
    • Organizer
      Minerva Gentner Symposium on Time-dependent Density Functional Theory
    • Place of Presentation
      エイラット(イスラエル)
    • Year and Date
      2007-12-17
    • Related Report
      2007 Annual Research Report
  • [Presentation] TDDFT description for laser-induced breakdown in dielectrics2007

    • Author(s)
      K.Yabana
    • Organizer
      Minerva Gentner symposium on time-dependent density functional theory
    • Place of Presentation
      Eilat, Israel
    • Related Report
      2008 Final Research Report
  • [Presentation] Time-dependent description for nuclear reaction dynamics in the continuum- reaction and response of exotic nuclei-2007

    • Author(s)
      K.Yabana
    • Organizer
      20^<th> Eur. Conf. on few-body problems in physics
    • Place of Presentation
      Pisa, Italy
    • Related Report
      2008 Final Research Report
  • [Presentation] Configuration mixing calculation with Skyrme Hamiltonian2007

    • Author(s)
      K.Yabana
    • Organizer
      UNEDF workshop
    • Place of Presentation
      Pac Forest, USA
    • Related Report
      2008 Final Research Report
  • [Presentation] Time-dependent method for structure and reaction2007

    • Author(s)
      T.Nakatsukasa
    • Organizer
      Int. Workshop on many-body open quantum systems : From atomic nuclei to quantum dots
    • Place of Presentation
      Trento, Italy
    • Related Report
      2008 Final Research Report
  • [Presentation] Time-dependent approaches for reaction and responses of unstable nuclei2007

    • Author(s)
      T.Nakatsukasa
    • Organizer
      Theoretical nuclear physics school "Exotic Nuclei : New Challenges
    • Place of Presentation
      Les Houches, France
    • Related Report
      2008 Final Research Report
  • [Presentation] Simulation for electron dynamics in dielectric material under intense laser pulse2007

    • Author(s)
      K.Yabana
    • Organizer
      The 2^<nd> Canada-Japan SRO-COAST symposium on ultrafast intense laser science
    • Place of Presentation
      Quebec, Canada
    • Related Report
      2008 Final Research Report
  • [Presentation] Real-time simulation for the electron-ion dynamics in solid induced by laser field2006

    • Author(s)
      K.Yabana
    • Organizer
      Int. Workshop on first principles calculation of correlated electrons
    • Place of Presentation
      Tokyo, Japan
    • Related Report
      2008 Final Research Report
  • [Presentation] First-principles simulation for electron dynamics in molecules and solids under intense laser field2006

    • Author(s)
      K.Yabana
    • Organizer
      Canada-Japan SRO-COAST symposium on ultrafast intense laser science I
    • Place of Presentation
      Tokyo, Japan
    • Related Report
      2008 Final Research Report

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Published: 2006-04-01   Modified: 2016-04-21  

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