Sunaga Ayaki 砂賀彩光

Researcher Number	60885416
Other IDs	https://orcid.org/0000-0002-3802-680X
Affiliation (based on the past Project Information) *help	2022: 京都大学, 理学研究科, 特定研究員 2020 – 2021: 京都大学, 複合原子力科学研究所, 助教
Review Section/Research Field	Principal Investigator Basic Section 34010:Inorganic/coordination chemistry-related / 0502:Inorganic/coordination chemistry, analytical chemistry, inorganic materials chemistry, energy-related chemistry, and related fields
Keywords	Principal Investigator 錯体化学 / 分子軌道ダイアグラム / スピン軌道相互作用 / 電子相関 / 分子構造 / 相対論的量子化学 / X2C法 / 超重元素 / 多配置性 / 重元素 … More / ヤーン・テラー効果 / 配位子場分裂 / walshダイアグラム / 理論化学 / アクチノイド / 量子化学 / アクチノイド化合物の構造 / 6p軌道 / ウラニルイオン / 局在化軌道 / 化学結合 / アクチノイド化学 Less

Research Projects
(2 results)
Research Products
(37 results)

Relativistic effect on ligand field splitting of metal complexes: a fundamental theory of heavy element chemistryPrincipal Investigator
- Principal Investigator
  
  砂賀彩光
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 34010:Inorganic/coordination chemistry-related
- Research Institution
  Kyoto University
Analysis of chemical bonding in actinide compounds based on relativistic quantum chemistryPrincipal Investigator
- Principal Investigator
  
  Sunaga Ayaki
- Project Period (FY)
  2020 – 2021
- Research Category
  
  Grant-in-Aid for Research Activity Start-up
- Review Section
  
  0502:Inorganic/coordination chemistry, analytical chemistry, inorganic materials chemistry, energy-related chemistry, and related fields
- Research Institution
  Kyoto University

All 2023 2022 2021 2020

All Journal Article Presentation Book

[Book] 計算化学（第3版）2023
- Author(s)
  Frank Jensen、後藤仁志、立川仁典、長嶋雲兵、五十幡康弘、内田希、神谷宗明、北幸海、小林正人、佐藤啓文、重田育照、砂賀彩光、武次徹也、常田貴夫、長谷川淳也、波田雅彦、森聖治
- Total Pages
  912
- Publisher
  森北出版
- ISBN
  9784627242333
- Data Source
  KAKENHI-PROJECT-21K14643
[Journal Article] Observation of an Inner-Shell Orbital Clock Transition in Neutral Ytterbium Atoms2023
- Author(s)
  Ishiyama Taiki、Ono Koki、Takano Tetsushi、Sunaga Ayaki、Takahashi Yoshiro
- Journal Title
  
  Physical Review Letters
  
  Volume: 130 Issue: 15 Pages: 153402-153402
- DOI
  10.1103/physrevlett.130.153402
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K14643, KAKENHI-PROJECT-22K20356, KAKENHI-PROJECT-18H05228, KAKENHI-PLANNED-18H05405
[Journal Article] Crystallographic and/or magnetic properties of neutral and cationic uranium(IV) sandwiched phthalocyanine complexes2023
- Author(s)
  Tabata Chihiro、Watanabe Hirohito、Shirasaki Kenji、Sunaga Ayaki、Fukuda Takamitsu、Li Dexin、Yamamura Tomoo
- Journal Title
  
  Journal of Molecular Structure
  
  Volume: 1277 Pages: 134870-134870
- DOI
  10.1016/j.molstruc.2022.134870
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K14643, KAKENHI-PROJECT-21K14644
[Journal Article] Isotope separation by DC18C6 crown-ether for neutrinoless double beta decay of 48Ca2022
- Author(s)
  Rittirong A、Yoshimoto T、Hazama R、Kishimoto T、Fujii T、Sakuma Y、Fukutani S、Shibahara Y、Sunaga A
- Journal Title
  
  Journal of Physics: Conference Series
  
  Volume: 2147 Issue: 1 Pages: 012015-012015
- DOI
  10.1088/1742-6596/2147/1/012015
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K22553, KAKENHI-PROJECT-21K14643, KAKENHI-PROJECT-16H04636
[Journal Article] Linearity and Chemical Bond of UO22+ Revisited: A Comparison Study with UN2 and UE22+ (E = S, Se, and Te) Based on Relativistic Calculations2022
- Author(s)
 Sunaga Ayaki、Tabata Chihiro、Yamamura Tomoo
- Journal Title
 
 The Journal of Physical Chemistry A
 
 Volume: 126 Issue: 46 Pages: 8606-8617
- DOI
 10.1021/acs.jpca.2c05216
- Peer Reviewed
- Data Source
 KAKENHI-PROJECT-21K14643
[Journal Article] Spectroscopic and Electric Properties of the TaO+ Molecule Ion for the Search of New Physics: A Platform for Identification and State Control2022
- Author(s)
  Ayaki Sunaga、Timo Fleig
- Journal Title
  
  Journal of Quantitative Spectroscopy and Radiative Transfer
  
  Volume: - Pages: 108229-108229
- DOI
  10.1016/j.jqsrt.2022.108229
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K14643
[Journal Article] Enhancement of the parity-violating energy difference of H2X2 molecules by electronic excitation2022
- Author(s)
  Kuroda Naoya、Oho Takumi、Senami Masato、Sunaga Ayaki
- Journal Title
  
  Physical Review A
  
  Volume: 105 Issue: 1 Pages: 012820-012820
- DOI
  10.1103/physreva.105.012820
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K22553, KAKENHI-PUBLICLY-21H00072, KAKENHI-PROJECT-17K04982, KAKENHI-PROJECT-21K14643
[Journal Article] 4-component relativistic Hamiltonian with effective QED potentials for molecular calculations2022
- Author(s)
  Sunaga Ayaki、Salman Maen、Saue Trond
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 157 Issue: 16 Pages: 164101-164101
- DOI
  10.1063/5.0116140
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K14643
[Journal Article] Diffuse Basis Functions for Relativistic s and d Block Gaussian Basis Sets2022
- Author(s)
  Dyall Kenneth G.、Tecmer Pawel、Sunaga Ayaki
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 19 Issue: 1 Pages: 198-210
- DOI
  10.1021/acs.jctc.2c01050
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K14643
[Journal Article] Homogeneity of (U, M)O2 (M = Th, Np) prepared by supercritical hydrothermal synthesis2022
- Author(s)
  Shirasaki Kenji、Tabata Chihiro、Sunaga Ayaki、Sakai Hironori、Li Dexin、Konaka Mariko、Yamamura Tomoo
- Journal Title
  
  Journal of Nuclear Materials
  
  Volume: 563 Pages: 153608-153608
- DOI
  10.1016/j.jnucmat.2022.153608
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K22553, KAKENHI-PROJECT-20K03827
[Journal Article] Towards highly accurate calculations of parity violation in chiral molecules: relativistic coupled-cluster theory including QED-effects2021
- Author(s)
  Sunaga Ayaki、Saue Trond
- Journal Title
  
  Molecular Physics
  
  Volume: 119 Issue: 21-22
- DOI
  10.1080/00268976.2021.1974592
- NAID
  120007185923
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K22553, KAKENHI-PROJECT-21K14643
[Journal Article] Supercritical hydrothermal synthesis of UO2+x: stoichiometry, crystal shape and size, and homogeneity observed using 23Na-NMR spectroscopy of (U, Na)O2+x2021
- Author(s)
  Tabata Chihiro、Shirasaki Kenji、Sunaga Ayaki、Sakai Hironori、Li Dexin、Konaka Mariko、Yamamura Tomoo
- Journal Title
  
  CrystEngComm
  
  Volume: 23 Issue: 48 Pages: 8660-8672
- DOI
  10.1039/d1ce00996f
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K22553, KAKENHI-PROJECT-20K03827, KAKENHI-PROJECT-21K14643
[Journal Article] Hydrofluorocarbon Diluent for CMPO Without Third Phase Formation: Extraction of Uranium(VI) and Lanthanide(III) Ions2021
- Author(s)
  Tabata Chihiro、Nakase Masahiko、Harigai Miki、Shirasaki Kenji、Sunaga Ayaki、Yamamura Tomoo
- Journal Title
  
  Separation Science and Technology
  
  Volume: 57 Issue: 7 Pages: 1097-1110
- DOI
  10.1080/01496395.2021.1970767
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K22553, KAKENHI-PROJECT-21K14643
[Presentation] 化学における量子電磁力学効果と分子を用いたCP対称性破れの探索2023
- Author(s)
  砂賀彩光
- Organizer
  第18回京都大学福井謙一記念研究センターシンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-21K14643
[Presentation] Relativistic calculations of enhancement factors for nuclear magnetic quadrupole moment in Yb atom2023
- Author(s)
  Ayaki Sunaga, Amar Vutha, Yuiki Takahashi, Yoshiro Takahashi
- Organizer
  第78回日本物理学会春季大会
- Data Source
  KAKENHI-PROJECT-21K14643
[Presentation] 相対論的多体理論を用いた同位体シフトにおける新物理の探索2022
- Author(s)
  砂賀彩光, 小野滉貴, 田中実, 高橋義朗
- Organizer
  第77回日本物理学会春季大会
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] 同位体シフトにおける標準模型を超えた新物理：相対論に基づく精密計算と解析2022
- Author(s)
  砂賀彩光, 小野滉貴, 田中実, 高橋義朗
- Organizer
  第24回理論化学討論会
- Data Source
  KAKENHI-PROJECT-21K14643
[Presentation] ダークマター探索を目指した同位体シフトの相対論計算2022
- Author(s)
  砂賀彩光, 小野滉貴, 石山泰樹, 高野哲至, 高須洋介, 田中実, 高橋義朗
- Organizer
  The 14th International Workshop on Fundamental Physics Using Atoms (FPUA2022) 2022年11月24日
- Data Source
  KAKENHI-PROJECT-21K14643
[Presentation] 相対論的多体理論が先導する同位体シフトにおける新物理2022
- Author(s)
  砂賀彩光, 小野滉貴, 田中実, 高橋義朗
- Organizer
  第1回新方式精密計測による物理・工学的変革を目指す回路技術調査専門委員会
- Invited
- Data Source
  KAKENHI-PROJECT-21K14643
[Presentation] The linearity of UO2(2+) and UN2 revisited; structure and chemical bond based on a relativistic study2022
- Author(s)
  砂賀彩光
- Organizer
  専門研究会「アクチノイドの物性化学とその応用」
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] 相対論的多体理論を用いた同位体シフトにおける新物理の探索2022
- Author(s)
  砂賀彩光, 小野滉貴, 田中実, 高橋義朗
- Organizer
  第77回日本物理学会春季大会
- Data Source
  KAKENHI-PROJECT-21K14643
[Presentation] Parity-violating energy difference in chiral molecules enhanced by electronic excitation2021
- Author(s)
  Ayaki Sunaga
- Organizer
  Quantum Science Symposium, 17th International Conference of Computational Methods in Sciences and Engineering (ICCMSE) 2021 (Video Conference (Streaming))
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K14643
[Presentation] Many-body calculation for the electron EDM searches: mechanism of enhancement for effective electric field and many-body theory including QED effects2021
- Author(s)
  Ayaki Sunaga
- Organizer
  Fundamental Physics Using Atoms (FPUA 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K14643
[Presentation] Theoretical study of the linearity of uranyl molecule based on relativistic correlation method2021
- Author(s)
  Ayaki Sunaga
- Organizer
  Topical meeting on Condensed-matter Chemistry on Actinides (Kumatori meeting)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] 相対論的量子化学計算に基づくUO2(2+), UN2の化学結合解析2021
- Author(s)
  砂賀彩光
- Organizer
  大洗・アルファ合同研究会
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] Relativistic molecular calculations of spectroscopic constants and chemical bondings including QED effects2021
- Author(s)
  Ayaki Sunaga, Maen Salman, Trond Saue
- Organizer
  第23回理論化学討論会
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] Relativistic molecular calculations of spectroscopic constants and chemical bondings including QED effects2021
- Author(s)
  Ayaki Sunaga, Maen Salman, Trond Saue
- Organizer
  第23回理論化学討論会
- Data Source
  KAKENHI-PROJECT-21K14643
[Presentation] 重元素系の分子物性における量子電磁力学効果：高精度相対論的分子理論の開発と応用2021
- Author(s)
  砂賀彩光, Maen Salman, Trond Saue
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-21K14643
[Presentation] Parity-violating energy difference in chiral molecules enhanced by electronic excitation2021
- Author(s)
  Ayaki Sunaga
- Organizer
  Quantum Science Symposium, 17th International Conference of Computational Methods in Sciences and Engineering (ICCMSE) 2021 (Video Conference (Streaming))
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] 重元素系の分子物性における量子電磁力学効果：高精度相対論的分子理論の開発と応用2021
- Author(s)
  砂賀彩光, Maen Salman, Trond Saue
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] Many-body calculation for the electron EDM searches: mechanism of enhancement for effective electric field and many-body theory including QED effects2021
- Author(s)
  Ayaki Sunaga
- Organizer
  Fundamental Physics Using Atoms (FPUA 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] Effective QED potentials for relativistic correlated molecular calculations including QED effects2021
- Author(s)
  Ayaki Sunaga
- Organizer
  24nd DIRAC working Group Meeting, virtual via ZOOM
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K14643
[Presentation] Effective QED potentials for relativistic correlated molecular calculations including QED effects2021
- Author(s)
  Ayaki Sunaga
- Organizer
  24nd DIRAC working Group Meeting, virtual via ZOOM
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] Theoretical study towards the detection of P, T violating interactions: analysis of enhancement factors and correction of QED effects2020
- Author(s)
  Ayaki Sunaga
- Organizer
  5th Committee of circuit for the scientific technical revolution based on the precise measurement
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] Relativistic many-body calculations on molecules including effective QED potentials2020
- Author(s)
  Ayaki Sunaga
- Organizer
  Fundamental Sciences & Quantum Technologies using Atomic Systems
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] Relativistic correlated calculations with effective QED potentials2020
- Author(s)
  Ayaki Sunaga
- Organizer
  23nd DIRAC working Group Meeting, virtual via ZOOM
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K22553
[Presentation] Relativistic study on the linearity of uranyl molecule2020
- Author(s)
  Ayaki Sunaga
- Organizer
  GIMRT Joint International Symposium on Radiation Effects in Materials and Actinide Science
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K22553

Sunaga Ayaki 砂賀 彩光

Research Projects

Research Products

Relativistic effect on ligand field splitting of metal complexes: a fundamental theory of heavy element chemistryPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Analysis of chemical bonding in actinide compounds based on relativistic quantum chemistryPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Book] 計算化学（第3版）2023

Author(s)

Total Pages

Publisher

ISBN

Data Source

[Journal Article] Observation of an Inner-Shell Orbital Clock Transition in Neutral Ytterbium Atoms2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Crystallographic and/or magnetic properties of neutral and cationic uranium(IV) sandwiched phthalocyanine complexes2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Isotope separation by DC18C6 crown-ether for neutrinoless double beta decay of 48Ca2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Linearity and Chemical Bond of UO<sub>2</sub><sup>2+</sup> Revisited: A Comparison Study with UN<sub>2</sub> and UE<sub>2</sub><sup>2+</sup> (E = S, Se, and Te) Based on Relativistic Calculations2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Spectroscopic and Electric Properties of the TaO+ Molecule Ion for the Search of New Physics: A Platform for Identification and State Control2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Enhancement of the parity-violating energy difference of H2X2 molecules by electronic excitation2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] 4-component relativistic Hamiltonian with effective QED potentials for molecular calculations2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Diffuse Basis Functions for Relativistic s and d Block Gaussian Basis Sets2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Homogeneity of (U, M)O2 (M = Th, Np) prepared by supercritical hydrothermal synthesis2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Towards highly accurate calculations of parity violation in chiral molecules: relativistic coupled-cluster theory including QED-effects2021

Author(s)

Journal Title

DOI

NAID

Data Source

[Journal Article] Supercritical hydrothermal synthesis of UO2+x: stoichiometry, crystal shape and size, and homogeneity observed using 23Na-NMR spectroscopy of (U, Na)O2+x2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Hydrofluorocarbon Diluent for CMPO Without Third Phase Formation: Extraction of Uranium(VI) and Lanthanide(III) Ions2021

Author(s)

Journal Title

Sunaga Ayaki 砂賀彩光