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Time-dependent coupled-cluster method for strong-field and attosecond science

Research Project

Project/Area Number 17K05070
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Optical engineering, Photon science
Research InstitutionThe University of Tokyo

Principal Investigator

Sato Takeshi  東京大学, 大学院工学系研究科(工学部), 准教授 (30507091)

Project Period (FY) 2017-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2019: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2018: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2017: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Keywords結合クラスター理論 / アト秒科学 / 高次高調波発生 / 時間依存結合クラスター理論 / 高次高調波 / 高強度場科学 / 多電子ダイナミクス / 高強度物理 / 波動関数理論 / 高強度場現象
Outline of Final Research Achievements

Experiments using ultrashort and high-intensity laser pulses observe complex phenomena such as bound excitations, multiple ionizations involving electron correlations, so it is extremely difficult to interpret or predict the experiments alone or with incomplete theory. It is indispensable to make rapid progress in accurate theory and calculation methods with reliable prediction.
To solve this problem, in this study, we formulate a time-dependent coupled cluster theory using time-dependent orbital functions and establish a new time-dependent multi-electron theory that simultaneously satisfies polynomial calculation cost, size consistency, and gauge invariance.

Academic Significance and Societal Importance of the Research Achievements

アト秒科学は光物質科学の最先端として注目を集めているが、実験単独では解釈が極めて難しい. 例えばCalegariらはフェニルアラニン分子に極端紫外X線パルスを照射して一重電離状態の波束を生じさせ, 近赤外プローブによる二重電離収率の振動から超高速電荷マイグレーション (核の動きを伴わない電荷移動) を観測したと報告した [Calegari et al. (2014)]. しかしその根拠 は「核の動きにしては速過ぎる」という消去法的論法に大きく依存している. 本研究では、当該分野が永続的な学問領域として確立し, 実社会に貢献する成果を生み出すために必要な信頼性の高い新理論を確立した。

Report

(4 results)
  • 2019 Annual Research Report   Final Research Report ( PDF )
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (20 results)

All 2020 2019 2018

All Journal Article (10 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 10 results,  Open Access: 6 results) Presentation (10 results) (of which Int'l Joint Research: 8 results,  Invited: 9 results)

  • [Journal Article] Time-dependent optimized coupled-cluster method for multielectron dynamics. II. A coupled electron-pair approximation2020

    • Author(s)
      Pathak Himadri、Sato Takeshi、Ishikawa Kenichi L.
    • Journal Title

      The Journal of Chemical Physics

      Volume: 152 Issue: 12 Pages: 124115-124115

    • DOI

      10.1063/1.5143747

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Complete Characterization of Phase and Amplitude of Bichromatic Extreme Ultraviolet Light2019

    • Author(s)
      Di Fraia Michele、Plekan Oksana、Callegari Carlo、Prince Kevin C.、Orimo Yuki、Tugs Oyunbileg、Sato Takeshi、Ishikawa Kenichi L., et al.
    • Journal Title

      Physical Review Letters

      Volume: 123 Issue: 21 Pages: 2139041-7

    • DOI

      10.1103/physrevlett.123.213904

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Implementation of a gauge-invariant time-dependent configuration-interaction-singles method for three-dimensional atoms2019

    • Author(s)
      Teramura Takuma、Sato Takeshi、Ishikawa Kenichi L.
    • Journal Title

      Physical Review A

      Volume: 100 Issue: 4

    • DOI

      10.1103/physreva.100.043402

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Application of the time-dependent surface flux method to the time-dependent multiconfiguration self-consistent-field method2019

    • Author(s)
      Orimo Yuki、Sato Takeshi、Ishikawa Kenichi L.
    • Journal Title

      Physical Review A

      Volume: 100 Issue: 1

    • DOI

      10.1103/physreva.100.013419

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Comparison between quantum and classical calculations for above threshold ionization of argon2019

    • Author(s)
      Orimo Yuki、Tok?si Karoly、Sato Takeshi、Ishikawa Kenichi L.
    • Journal Title

      The European Physical Journal D

      Volume: 73 Issue: 7

    • DOI

      10.1140/epjd/e2019-100066-y

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Time-dependent multiconfiguration self-consistent-field study on resonantly enhanced high-order harmonic generation from transition-metal elements2019

    • Author(s)
      Wahyutama Imam S.、Sato Takeshi、Ishikawa Kenichi L.
    • Journal Title

      Physical Review A

      Volume: 99 Issue: 6

    • DOI

      10.1103/physreva.99.063420

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] High-harmonic generation enhanced by laser-induced electron recollision2019

    • Author(s)
      Y. Li, T. Sato, and K. L. Ishikawa
    • Journal Title

      Phys. Rev. A

      Volume: 99 Issue: 4 Pages: 043401-043401

    • DOI

      10.1103/physreva.99.043401

    • Related Report
      2019 Annual Research Report 2018 Research-status Report
    • Peer Reviewed
  • [Journal Article] Time-dependent Hartree-Fock study of electron-hole interaction effects on high-order harmonic generation from periodic crystals2018

    • Author(s)
      T. Ikemachi, Y. Shinohara, T. Sato, J. Yumoto, M. Kuwata-Gonokami, and K. L. Ishikawa
    • Journal Title

      Phys. Rev. A

      Volume: 97 Issue: 2

    • DOI

      10.1103/physreva.98.023415

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Journal Article] Gauge Invariance beyond the Electric Dipole Approximation2018

    • Author(s)
      R. Anzaki*, Y. Shinohara, T. Sato, and K. L. Ishikawa
    • Journal Title

      Phys. Rev. A

      Volume: 98 Issue: 6 Pages: 063410-063410

    • DOI

      10.1103/physreva.98.063410

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Journal Article] Time-dependent optimized coupled-cluster method for multielectron dynamics2018

    • Author(s)
      T. Sato, H. Pathak, Y. Orimo, and K. L. Ishikawa
    • Journal Title

      Journal of Chemical Physics

      Volume: 148 Issue: 5

    • DOI

      10.1063/1.5020633

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] Time-dependent wavefunction-based methods for intense laser-driven multielectron dynamics2019

    • Author(s)
      Takeshi Sato
    • Organizer
      ISWAMP2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Time-dependent optimized coupled-cluster method for intense laser-driven multielectron dynamics2019

    • Author(s)
      Takeshi Sato
    • Organizer
      New Developments in Coupled-Cluster Theory 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Time-Dependent Wavefunction-Based Methods for Intense Laser-Driven Multielectron Dynamics2019

    • Author(s)
      Takeshi Sato
    • Organizer
      Interphotonics 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 時間依存結合クラスター理論の開発 と強光子場中の電子ダイナミクスへの応用2019

    • Author(s)
      佐藤 健
    • Organizer
      QIQBセミナー: 量子化学と量子情報・量子生命の接点
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] Time-dependent optimized coupled-cluster method for intense laser-driven multielectron dynamics2018

    • Author(s)
      Takeshi Sato
    • Organizer
      7th JCS Symposium, Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Praha
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Application of time-dependent multiconfiguration and coupled-cluster methods to intense-laser driven multielectron dynamics in atoms and molecules2018

    • Author(s)
      Takeshi Sato
    • Organizer
      9th AWCXR, Hokkaido University, Sapporo
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Time-dependent wavefunction-based methods for intense laser-driven multielectron dynamics2018

    • Author(s)
      Takeshi Sato
    • Organizer
      AIEDS18, Epochal Tsukuba
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Time-dependent multiconfiguration and coupled-cluster methods for intense-laser driven multielectr2018

    • Author(s)
      Takeshi Sato
    • Organizer
      SILAP 2018, Fields Institute, University of Toronto
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Time-dependent wave function-based methods for intense laser-driven multielectron dynamics in atoms and molecules2018

    • Author(s)
      Takeshi Sato
    • Organizer
      International symposium on ultrafast electronic and structural dynamics, International center of educational reserch, Institute for Materials Research, Tohoku University, Sendai, Japan
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 高強度レーザー場中の多電子ダイナミクスのための時間依存結合クラスター理論の開発2018

    • Author(s)
      佐藤 健、パサック ヒマドリ、石川 顕一
    • Organizer
      分子科学討論会
    • Related Report
      2017 Research-status Report

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Published: 2017-04-28   Modified: 2021-02-19  

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