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QED効果を考慮した高精度電子状態理論の開発-新規素粒子理論構築を目指して-

Research Project

Project/Area Number 17J02767
Research Category

Grant-in-Aid for JSPS Fellows

Allocation TypeSingle-year Grants
Section国内
Research Field Physical chemistry
Research InstitutionTokyo Metropolitan University

Principal Investigator

砂賀 彩光  首都大学東京, 理工学研究科, 特別研究員(DC1)

Project Period (FY) 2017-04-26 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥2,800,000 (Direct Cost: ¥2,800,000)
Fiscal Year 2019: ¥900,000 (Direct Cost: ¥900,000)
Fiscal Year 2018: ¥900,000 (Direct Cost: ¥900,000)
Fiscal Year 2017: ¥1,000,000 (Direct Cost: ¥1,000,000)
Keywords相対論的量子化学 / CP対称性の破れ / QED効果 / 理論化学 / ディラック方程式 / 電子EDM / beyond standard model / 原子・分子物理 / 標準模型をを超える素粒子物理 / 時間反転対称性の破れ / 電子状態
Outline of Annual Research Achievements

電子の電気双極子モーメント(電子EDM)及びスカラー・擬スカラー(S-PS) 相互作用は素粒子標準模型を超えた素粒子理論で存在が予言されており、これらの現象を発見することは、宇宙の物質-反物質の非対称性の起源を解明することにつながる。電子EDM及びS-PS相互作用定数を決定するためには、(1)相対論計算を用いて有効電場(Eeff)及びS-PS係数(Ws)の高精度に決定すること、(2) EeffとWsの比(Ws/Eeff)が異なる2種類以上の分子を用いて実験する必要がある。該当年度では、(1)Dirac方程式に基づく相対論法に量子電磁気学(QED)の効果を取り込む手法を開発し、及び(2)分子系においてWs/Eeff比が異なる要因を解明した。

(1)QED効果の1つである自己エネルギー効果を考慮するため、相対論計算専用のプログラムDIRACに有効QEDポテンシャルを実装した。実装した有効QEDポテンシャルは、(a)Flambaum-Gingesの有効ポテンシャル及び(b)Pyykko-Zhaoのモデルポテンシャルの2種類である。開発したプログラムを用いてEeffを計算したところ、QED効果の寄与はYbF分子で1.3%、ThO分子で1.6%程度であった。QED効果は、電子相関や基底関数、分子振動に起因する誤差と比べて無視できないオーダーを持つ寄与であり、Eeffの高精度計算をするためにはQED効果を考慮することが必要不可欠であることが示された。

(2)重原子-軽原子の2原子分子において、Ws/Eeffは軽原子の種類に依存せず、重原子側の原子番号にのみ依存することを明らかにした。電子EDMとS-PS相互作用定数を決定するためには、重原子系と軽原子系を組み合わせて実験を行う必要があることが分かった。重原子系は既存の実験対象分子であるが、当研究では軽原子系としてLiSr分子を提案した。

Research Progress Status

令和元年度が最終年度であるため、記入しない。

Strategy for Future Research Activity

令和元年度が最終年度であるため、記入しない。

Report

(3 results)
  • 2019 Annual Research Report
  • 2018 Annual Research Report
  • 2017 Annual Research Report
  • Research Products

    (25 results)

All 2020 2019 2018 2017 Other

All Int'l Joint Research (5 results) Journal Article (7 results) (of which Int'l Joint Research: 6 results,  Peer Reviewed: 7 results,  Open Access: 2 results) Presentation (13 results) (of which Int'l Joint Research: 10 results,  Invited: 1 results)

  • [Int'l Joint Research] Physical Research Laboratory(インド)

    • Related Report
      2019 Annual Research Report
  • [Int'l Joint Research] Paul Sabatier university(フランス)

    • Related Report
      2019 Annual Research Report
  • [Int'l Joint Research] Physical Research Laboratory(インド)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] Paul Sabatier university(フランス)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] Paul Sabatier University(France)

    • Related Report
      2017 Annual Research Report
  • [Journal Article] The DIRAC code for relativistic molecular calculations2020

    • Author(s)
      T. Saue et al.
    • Journal Title

      Journal of Chemical Physics

      Volume: -

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] The Role of Relativistic Many-Body Theory in Electron Electric Dipole Moment Searches Using Cold Molecules2019

    • Author(s)
      Prasannaa V. S.、Sunaga A.、Abe M.、Hada M.、Shitara N.、Sakurai A.、Das B. P.
    • Journal Title

      Atoms

      Volume: 7 Issue: 2 Pages: 58-58

    • DOI

      10.3390/atoms7020058

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Relativistic Coupled-Cluster Study of Diatomic Metal--Alkali-metal Molecules for Electron Electric Dipole Moment Searches2019

    • Author(s)
      Ayaki Sunaga, Minori Abe, Srinivasa Prasannaa, Takatoshi Aoki, Masahiko Hada
    • Journal Title

      Journal of Physics B: Atomic, Molecular and Optical Physics

      Volume: 53(1) Issue: 1 Pages: 015102-015102

    • DOI

      10.1088/1361-6455/ab5255

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Merits of heavy-heavy diatomic molecules for electron electric dipole-moment searches2019

    • Author(s)
      A. Sunaga, M. Abe, M. Hada and B. P. Das
    • Journal Title

      Phys. Rev. A

      Volume: 99(6) Issue: 6 Pages: 062506-062506

    • DOI

      10.1103/physreva.99.062506

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Ultracold mercury?alkali-metal molecules for electron-electric-dipole-moment searches2019

    • Author(s)
      Sunaga A.、Prasannaa V. S.、Abe M.、Hada M.、Das B. P.
    • Journal Title

      Physical Review A

      Volume: 99 Issue: 4 Pages: 040501-040501

    • DOI

      10.1103/physreva.99.040501

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Enhancement factors of parity- and time-reversal-violating effects for monofluorides2018

    • Author(s)
      Sunaga A.、Prasannaa V. S.、Abe M.、Hada M.、Das B. P.
    • Journal Title

      Physical Review A

      Volume: 98 Issue: 4 Pages: 042511-042511

    • DOI

      10.1103/physreva.98.042511

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Theoretical Study of Formulation of Hyperfine Coupling Constant in Four-component Relativistic Framework2017

    • Author(s)
      砂賀 彩光,阿部 穣里,波田 雅彦
    • Journal Title

      Journal of Computer Chemistry, Japan

      Volume: 16 Issue: 4 Pages: 81-82

    • DOI

      10.2477/jccj.2017-0034

    • NAID

      130006172772

    • ISSN
      1347-1767, 1347-3824
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Presentation] Enhancement Factors of Parity- and Time-Reversal-Violating Effects for Monofluorides2019

    • Author(s)
      Ayaki Sunaga
    • Organizer
      International Summit on Optics, Photonics and Laser Technologies
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Molecular calculations with effective QED potentials2019

    • Author(s)
      Ayaki Sunaga, Trond Saue
    • Organizer
      22nd DIRAC Working Group Meeting
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] effective QED potentials in molecular calculations2019

    • Author(s)
      Ayaki Sunaga, Trond Saue
    • Organizer
      Computation and Understanding in Quantum Molecular Science,
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Using effective QED potentials in molecular calculations2019

    • Author(s)
      Ayaki Sunaga, Trond Saue
    • Organizer
      0th Triennial Congress of the International Society for Theoretical Chemical Physics
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Relativistic study of parity and time reversal symmetry-violating interaction using atoms and molecules2018

    • Author(s)
      yaki Sunaga, Minori Abe, Bhanu Pratap Das and Masahiko Hada
    • Organizer
      16th International Congress of Quantum Chemistry
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Analysis of enhancement factors of electron EDM and scalarpseudoscalar interaction for atoms and molecules2018

    • Author(s)
      Ayaki Sunaga, Minori Abe, Bhanu Pratap Das and Masahiko Hada
    • Organizer
      7th JCS (Japan-Czech-Slovak) Symposium
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Analysis of enhancement factors of electron EDM and scalar-pseudoscalar interaction for atoms and molecules2018

    • Author(s)
      Ayaki Sunaga, Minori Abe, Bhanu Pratap Das and Masahiko Hada
    • Organizer
      10th International Workshop on Fundamental Physics Using Atoms 2018
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 4 成分相対論にも適用可能な超微細結合定数の演算子に関する検討2017

    • Author(s)
      砂賀彩光,阿部穣里,波田雅彦
    • Organizer
      第20回 理論化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 4成分相対論における超微細結合定数の定式化に関する考察2017

    • Author(s)
      砂賀彩光,阿部穣里,波田雅彦
    • Organizer
      日本コンピュータ化学会2017春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Analysis of hyperfine structure in Dirac theory: anomalous increase of relativistic contraction of outer orbitals2017

    • Author(s)
      Ayaki Sunaga, Minori Abe and Masahiko Hada
    • Organizer
      11th Triennial Congress of the World Association of Theoretical and Computational Chemists
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Anomalous increase of relativistic effect for hyperfine coupling constant of outer orbitals2017

    • Author(s)
      Ayaki Sunaga, Minori Abe and Masahiko Hada
    • Organizer
      12th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Dirac理論に基づく超微細結合定数の解析-外殻軌道における相対論効果の増幅現象-2017

    • Author(s)
      砂賀彩光,阿部穣里,波田 雅彦
    • Organizer
      第11回 分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Analysis of Effective Electric Fields of Heavy Molecules for Electron Electric-Dipole-Moment Searches2017

    • Author(s)
      Ayaki Sunaga, Minori Abe, Bhanu Pratap Das and Masahiko Hada
    • Organizer
      Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research

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Published: 2017-05-25   Modified: 2024-03-26  

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