Kita Yukiumi 北幸海

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KITA YUKIUMI 北幸海

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Researcher Number	40453047
Other IDs
Affiliation (Current)	2025: 横浜市立大学, 理学部, 准教授
Affiliation (based on the past Project Information) *help	2019 – 2025: 横浜市立大学, 理学部, 准教授 2018: 横浜市立大学, 生命ナノシステム科学研究科(八景キャンパス), 准教授 2016: 横浜市立大学, 生命ナノシステム科学研究科(八景キャンパス), 准教授 2015: 横浜市立大学, 生命ナノシステム科学研究科, 准教授 2010 – 2015: 横浜市立大学, 生命ナノシステム科学研究科, 助教 2011: 横浜市立大学, その他の研究科, 助教
Review Section/Research Field	Principal Investigator Basic Section 32010:Fundamental physical chemistry-related / Physical chemistry Except Principal Investigator Physical chemistry / Basic Section 34020:Analytical chemistry-related / Science and Engineering
Keywords	Principal Investigator 量子モンテカルロ法 / 陽電子親和力 / 陽電子 / 振動励起 / H/D同位体効果 / 振動励起状態 / 振動フェッシュバッハ共鳴 / 分子振動 / 無極性分子 Except Principal Investigator 量子多成分系分子理論 … More / H/D同位体効果 / 多成分系分子理論 / 標準化 / マススペクトル / 量子化学計算 / 質量分析 / 経路積分法 / 四角酸 / 水素結合型強誘電体 / ポジトロ二クス / プロト二クス / 経路積分シミュレーション / 量子モンテカルロ法 / ポジトロニクス / プロトニクス / 生体分子 / 経路積分 / クラスター / 化学物理 / 水和機構 / 多成分系経路積分法 / Colle-Salvetti型相関関数 / D同位体効果 / H / 水素結合 / 陽電子化合物 / 多成分系量子モンテカルロ法 / 多成分系密度汎関数法 Less

多成分系分子理論の発展・深化による新奇陽電子媒介分子の安定化機構の理論的解明Principal Investigator
- Principal Investigator
  
  北幸海
- Project Period (FY)
  2025 – 2027
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Yokohama City University
質量分析実験と量子化学計算の協働によるマススペクトルパターンの標準化法の確立
- Principal Investigator
  
  関本奏子
- Project Period (FY)
  2024 – 2026
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 34020:Analytical chemistry-related
- Research Institution
  Yokohama City University
Developments of computational positron spectroscopy based on quantum Monte Carlo methodPrincipal Investigator
- Principal Investigator
  
  北幸海
- Project Period (FY)
  2021 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Yokohama City University
Theoretical study on the mechanism of the positron bindings to polyatomic molecules based on quantum Monte Carlo methodPrincipal Investigator
- Principal Investigator
  
  Kita Yukiumi
- Project Period (FY)
  2018 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Yokohama City University
Theoretical study of the H/D isotope effects on the binding of a positron to polyatomic moleculesPrincipal Investigator
- Principal Investigator
  
  Kita Yukiumi
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Yokohama City University
Origin
- Principal Investigator
  
  Tachikawa Masanori
- Project Period (FY)
  2014 – 2015
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Physical chemistry
- Research Institution
  Yokohama City University
Development of anharmonic vibrational state theory based on quantum Monte Carlo method and applications to the binding of a positron to non-polar moleculePrincipal Investigator
- Principal Investigator
  
  KITA Yukiumi
- Project Period (FY)
  2012 – 2013
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Yokohama City University
Development on the integrated system of quantum multi component molecular theories and its application to protonics and positronics
- Principal Investigator
  
  TACHIKAWA Masanori
- Project Period (FY)
  2011 – 2013
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Yokohama City University
量子・熱ゆらぎを考慮した生体分子高次系クラスターの理論的解明
- Principal Investigator
  
  立川仁典
- Project Period (FY)
  2010 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Yokohama City University
Development of highly accurate Multi-Component Molecular Theory and its application
- Principal Investigator
  
  TACHIKAWA Masanori
- Project Period (FY)
  2008 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Yokohama City University

[Journal Article] Stability and bonding nature of positronic lithium molecular dianion2023
- Author(s)
  Ito Shumpei、Yoshida Daisuke、Kita Yukiumi、Shimazaki Tomomi、Tachikawa Masanori
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 158 Issue: 20 Pages: 204303-204303
- DOI
  10.1063/5.0150246
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-21K04983, KAKENHI-PROJECT-22K05038, KAKENHI-PUBLICLY-23H03993
[Journal Article] Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO2)n(n=1~5)2023
- Author(s)
  Miku Furushima, Makito Takagi, Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki and Masanori Tachikawa
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 25 Issue: 1 Pages: 625-632
- DOI
  10.1039/d2cp03788b
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04983, KAKENHI-PROJECT-22K20550, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-22K05038, KAKENHI-PUBLICLY-23H03993
[Journal Article] A comprehensive theoretical study of positron binding and annihilation properties of hydrogen bonded binary molecular clusters2022
- Author(s)
  Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 24(43) Issue: 43 Pages: 26898-26907
- DOI
  10.1039/d2cp03813g
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04983, KAKENHI-PROJECT-22K20550, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-22K05038
[Journal Article] Theoretical investigation of the enhancement of positron affinity by the vibration and dimerization of non-polar carbon disulfide2021
- Author(s)
  Furushima Miku、Yoshida Daisuke、Kita Yukiumi、Shimazaki Tomomi、Tachikawa Masanori
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 23 Issue: 38 Pages: 21512-21520
- DOI
  10.1039/d1cp02808a
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-21K04983
[Journal Article] Positron Binding and Annihilation Properties of Amino Acid Systems2021
- Author(s)
  Ozaki Maya、Yoshida Daisuke、Kita Yukiumi、Shimazaki Tomomi、Tachikawa Masanori
- Journal Title
  
  ACS Omega
  
  Volume: 6 Issue: 44 Pages: 29449-29458
- DOI
  10.1021/acsomega.1c03409
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-21K04983
[Journal Article] Theoretical analysis of the binding of a positron and pair-annihilation in fluorinated benzene molecules2020
- Author(s)
  Kuniaki ONO, Takayuki OYAMADA, Yukiumi KITA, and Masanori TACHIKAWA
- Journal Title
  
  The European Physical Journal D
  
  Volume: 74 Pages: 89-89
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05041
[Journal Article] First-principles quantum Monte Carlo studies for prediction of double minima for positronic hydrogen molecular dianion2020
- Author(s)
  Ito Shumpei、Yoshida Daisuke、Kita Yukiumi、Tachikawa Masanori
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 153 Issue: 22 Pages: 224305-224305
- DOI
  10.1063/5.0022673
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H05155, KAKENHI-PROJECT-18K05041, KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945
[Journal Article] Quantum dynamics study on the binding of a positron to vibrationally excited states of hydrogen cyanide molecule2017
- Author(s)
  Toshiyuki Takayanagi, Kento Suzuki, Takahiko Yoshida, Yukiumi Kita, Masanori Tachikawa
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 675 Pages: 118-123
- DOI
  10.1016/j.cplett.2017.03.025
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26410020, KAKENHI-PROJECT-15K05375, KAKENHI-PROJECT-15KT0067, KAKENHI-PUBLICLY-16H00780
[Journal Article] Effects of vibrational anharmonicity and inter-mode couplings on the binding energy of a positron to molecules2017
- Author(s)
  Yukiumi Kita and Masanori Tachikawa
- Journal Title
  
  Journal of Physics
  
  Volume: 791
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26410020
[Journal Article] 原子・分子の陽電子束縛機構と対消滅機構解明のための高精度第一原理計算2016
- Author(s)
  立川仁典、北幸海、小山田隆行
- Journal Title
  
  陽電子科学
  
  Volume: 7 Pages: 41-51
- NAID
  40020940531
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26410020
[Journal Article] Theoretical study of a positron-attachment to vibrational excited states for non-polar carbon disulfide molecule2016
- Author(s)
  Yu TAKEDA, Yukiumi KITA, and Masanori TACHIKAWA
- Journal Title
  
  European Physical Journal D
  
  Volume: 印刷中
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26410020
[Journal Article] A Large-scale Parallel Computation for Vibrational State Analysis Based on Quantum Monte Carlo method2015
- Author(s)
  Ryota Nakayama, Osamu Fujioka, Yukiumi Kita, and Masanori Tachikawa
- Journal Title
  
  TSUBAME e-Science Journal
  
  Volume: 13 Pages: 7-12
- NAID
  40020389125
- Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26410020
[Journal Article] Ferromagnetic spin coupling in the chromium dimer cation: Measurements by photodissociation spectroscopy combined with coupled-cluster calculations2015
- Author(s)
  K. Egashira, Y. Yamada, Y. Kita, and M. Tachikawa,
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 142 Issue: 5
- DOI
  10.1063/1.4907197
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-25104721, KAKENHI-PROJECT-15KT0067, KAKENHI-PUBLICLY-26102539, KAKENHI-PROJECT-26620013
[Journal Article] Theoretical prediction of the binding of a positron to a formaldehyde molecule using a first-principles calculation2014
- Author(s)
  Yurika Yamada, Yukiumi Kita, and Masanori Tachikawa
- Journal Title
  
  Phys. Rev. A
  
  Volume: 89, 062711 Issue: 6 Pages: 5-5
- DOI
  10.1103/physreva.89.062711
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24750022, KAKENHI-PUBLICLY-25104721, KAKENHI-PUBLICLY-26102539, KAKENHI-PROJECT-26410020, KAKENHI-PROJECT-26620013
[Journal Article] Bound states of positron with simple carbonyl and aldehyde species with configuration interaction multi-component molecular orbital and local vibrational approaches2014
- Author(s)
  M. Tachikawa, Y. Kita, and R. J. Buenker
- Journal Title
  
  New J. Phys.
  
  Volume: 14
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Quantum Monte Carlo and high-level ab initio molecular orbital investigation of dissociation channels of the positronic alkali-metal hydrides, [XH;e+] (X = Li, Na, and K)2014
- Author(s)
  Y. Yamada, Y. Kita, M. Tachikawa, M. Towler, and R. J. Needs
- Journal Title
  
  Eur. Phys. J. D
  
  Volume: (in press)
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Theoretical investigation of the binding of a positron to vibrational excited states of hydrogen cyanide molecule2014
- Author(s)
  Yukiumi Kita and Masanori Tachikawa
- Journal Title
  
  Euro. Phys. J. D
  
  Volume: 68, 116 Issue: 5 Pages: 7-7
- DOI
  10.1140/epjd/e2014-40799-9
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24750022, KAKENHI-PUBLICLY-25104721, KAKENHI-PUBLICLY-26102539, KAKENHI-PROJECT-26620013
[Journal Article] <i>Ab initio</i> Calculation for Positronic Compounds2014
- Author(s)
  立川仁典、北幸海
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 13 Issue: 1 Pages: 83-91
- DOI
  10.2477/jccj.2013-0019
- NAID
  130003391636
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Data Source
  KAKENHI-PROJECT-24750022
[Journal Article] Theoretical investigation of the binding of a positron to vibrational excited states of hydrogen cyanide molecule2014
- Author(s)
  Y. Kita and M. Tachikawa
- Journal Title
  
  Eur. Phys. J. D
  
  Volume: (in press)
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Quantum Monte Carlo and high-level ab initio molecular orbital investigation of dissociation channels of the positronic alkali-metal hydrides, [XH;e+] (X= Li, Na, and K)2014
- Author(s)
  Yurika Yamada, Yukiumi Kita, Masanori Tachikawa, Mike D. Towler, and Richard J. Needs
- Journal Title
  
  Euro. Phys. J. D
  
  Volume: 68 Issue: 3 Pages: 6-6
- DOI
  10.1140/epjd/e2014-40734-2
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24750022, KAKENHI-PUBLICLY-25104721, KAKENHI-PUBLICLY-26102539, KAKENHI-PROJECT-26620013
[Journal Article] Theoretical study of substituent effect on the electronic excited states of chromophore in cyan fluorescent proteins2014
- Author(s)
  M. Takahashi, J. Koseki, Y. Kita, Y. Kawashima, and M. Tachikawa
- Journal Title
  
  Chin. J. Phys.
  
  Volume: xx
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Quantum chemical investigation of the Doppler broadening of positron annihilation radiation spectra in polymers2014
- Author(s)
  K. Koyanagi, Y. Kita, K. Sato, Y. Kobayashi, and M. Tachikawa
- Journal Title
  
  Chin. J. Phys.
  
  Volume: xx
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Positron-attachment to nonpolar or small dipole CXY (X, Y = O, S, and Se) molecules : Vibrational enhancement of positron affinities with configuration interaction level of multi-component molecular orbital approach2013
- Author(s)
  K. Koyanagi, Y. Takeda, T. Oyamada, Y. Kita, and M. Tachikawa
- Journal Title
  
  Phys. Chem. Chem. Phys
  
  Volume: 15 Pages: 16208-16213
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Theoretical study of substituent effect on the electronic excited states of chromophore in cyan fluorescent proteins2013
- Author(s)
  M. Takahashi, J. Koseki, Y. Kita, Y. Kawashima, and M. Tachikawa
- Journal Title
  
  Chin. J. Phys
  
  Volume: (in press)
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Positron-attachment to nonpolar or small dipole CXY (X, Y=O, S, and Se) molecules : vibrational enhancement of positron affinities with configuration interaction level of multi-comoonent molecular orbital approach2013
- Author(s)
  K. Koyanagi, Y. Takeda, T. Ovamada, Y. Kita and M. Tachikawa
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 15 Issue: 38 Pages: 16208-16213
- DOI
  10.1039/c3cp52572d
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-13J10009, KAKENHI-PROJECT-24750022
[Journal Article] Theoretical analysis of the geometrical isotope effect on the hydrogen bonds in photoactive yellow protein with muti-component density functional theory2013
- Author(s)
  Y. Kita, H. Kamikubo, M. Kataoka, and M. Tachikawa
- Journal Title
  
  Chem. Phys.
  
  Volume: 419 Pages: 50-53
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Quantum chemical investigation of the Doppler broadening of positron annihilation radiation spectra in polymers2013
- Author(s)
  Katsuhiko Koyanagi, Yukiumi Kita, Kiminori Sato, Yoshinori Kobayashi, and Masanori Tachikawa
- Journal Title
  
  Chinese Journal of Physics
  
  Volume: 51 Pages: 1205-1217
- Data Source
  KAKENHI-PROJECT-24750022
[Journal Article] Quantum chemical investigation of the Doppler broadening of positron annihilation radiation spectra in polymers2013
- Author(s)
  K. Koyanagi, Y. Kita, K. Sato, Y. Kobayashi, and M. Tachikawa
- Journal Title
  
  Chin. J. Phys
  
  Volume: (in press)
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Gold-standard coupled-cluster study of the ground-state chromium dimer cation2013
- Author(s)
  Y. Yamada, K. Hongo, K. Egashira, Y. Kita, U. Nagashima, and M. Tachikawa
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 555 Pages: 84-86
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Binding of a Positron to Nucleic Base Molecules and Their Pairs2013
- Author(s)
  K. Koyanagi, Y. Kita, Y. Shigeta, M. Tachikawa
- Journal Title
  
  ChemPhysChem
  
  Volume: 14 Issue: 15 Pages: 3458-3462
- DOI
  10.1002/cphc.201300549
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22685003, KAKENHI-PROJECT-24750022, KAKENHI-PUBLICLY-25104716
[Journal Article] Gold-standard coupled-cluster study of the ground-state chromium dimer cation2013
- Author(s)
  Y. Yamada, K. Hongo, K. Egashira, Y. Kita, U. Nagashima, and M. Tachikawa
- Journal Title
  
  Chem. Phys. Lett
  
  Volume: 555 Pages: 84-86
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Binding of a Positron to Nucleic Base Molecules and Their Pairs2013
- Author(s)
  K. Koyanagi, Y. Kita, Y. Shigeta, and M. Tachikawa
- Journal Title
  
  ChemPhysChem (Communication)
  
  Volume: 14 Pages: 3458-3462
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Vibrational enhancement of positron affinities for nonpolar carbon dioxide and carbon disulfide molecules : Multi- component molecular orbital study for vibrational excited states2013
- Author(s)
  Katsuhiko Koyanagi, Yukiumi Kita, and Masanori Tachikawa
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 113 Issue: 3 Pages: 382-385
- DOI
  10.1002/qua.24111
- Data Source
  KAKENHI-PROJECT-24750022
[Journal Article] Theoretical analysis of the geometrical isotope effect on the hydrogen bonds in photoactive yellow protein with muti-component density functional theory2013
- Author(s)
  Y. Kita, H. Kamikubo, M. Kataoka, and M. Tachikawa
- Journal Title
  
  Chem. Phys
  
  Volume: 419 Pages: 50-53
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Bound states of positron with simple carbonyl and aldehyde species with configuration interaction multi-component molecular orbital and local vibrational approaches2012
- Author(s)
  M. Tachikawa, Y. Kita, and R. J. Buenker
- Journal Title
  
  New J. Phys
  
  Volume: 14
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] 陽電子束縛化合物の第一原理計算2012
- Author(s)
  立川仁典, 北幸海
- Journal Title
  
  日本物理学会誌
  
  Volume: 67(in Japanese) Pages: 33-36
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Temperature dependence of self-assembled molecular capsules consisting of gear-shaped amphiphile molecules with molecular dynamics simulations2012
- Author(s)
  J. Koseki, Y. Kita, S. Hiraoka, U. Nagashima, and M. Tachikawa
- Journal Title
  
  Int. J. Quant. Chem.
  
  Volume: 113 Pages: 397-400
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Temperature dependence of self-assembled molecular capsules consisting of gear-shaped amphiphile molecules with molecular dynamics simulations2012
- Author(s)
  J. Koseki, Y. Kita, S. Hiraoka, U. Nagashima, and M. Tachikawa
- Journal Title
  
  Int. J. Quant. Chem
  
  Volume: 113 Pages: 397-400
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Vibrational enhancement of positron affinities for nonpolar carbon dioxide and carbon disulfide molecules : Multi-component molecular orbital study for vibrational excited states2012
- Author(s)
  K.Koyanagi, Y.Kita, M.Tachikawa
- Journal Title
  
  Int.J.Quant.Chem.
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Temperature dependence of self-assembled molecular capsules consisting of gear-shaped amphiphile molecules with molecular dynamics simulations2012
- Author(s)
  J.Koseki, Y.Kita, S.Hiraoka, U.Nagashima, M.Tachikawa
- Journal Title
  
  Int.J.Quant.Chem.
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Systematic theoretical investigation of positron-binding to amino acid molecules with ab initio multi-component molecular orbital approach2012
- Author(s)
  K. Koyanagi, Y. Kita, M. Tachikawa
- Journal Title
  
  Eur. Phys. J. D.
  
  Volume: 66
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Bound states of positron with simple carbonyl and aldehyde species with configuration interaction multi-component molecular orbital and local vibrational approaches2012
- Author(s)
  M.Tachikawa, Y.Kita, R.J.Buenker
- Journal Title
  
  New J.Phys.
  
  Volume: 14
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Vibrational enhancement of positron affinities for nonpolar carbon dioxide and carbon disulfide molecules : Multi- component molecular orbital study for vibrational excited states2012
- Author(s)
  K. Koyanagi, Y. Kita, and M. Tachikawa
- Journal Title
  
  Int. J. Quant. Chem
  
  Volume: 113 Pages: 382-385
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Systematic theoretical investigation of positron-binding to amino acid molecules with ab initio multi-component molecular orbital approach2012
- Author(s)
  K.Koyanagi, Y.Kita, M.Tachikawa
- Journal Title
  
  Eur.Phys.J.D.
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Fixed-node quantum Monte Carlo for molecule2012
- Author(s)
  立川仁典, 北幸海
- Journal Title
  
  巨大分子系の計算化学
  
  Volume: 無し Pages: 34-38
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Bound states of positron with simple carbonyl and aldehyde species with configuration interaction multi-component molecular orbital and local vibrational approaches2012
- Author(s)
  M. Tachikawa, Y. Kita, R. J. Buenker
- Journal Title
  
  New J. Phys.
  
  Volume: 14
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] 陽電子束縛化合物の第一原理計算2012
- Author(s)
  立川仁典, 北幸海
- Journal Title
  
  日本物理学会誌
  
  Volume: 67 Pages: 33-36
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Fixed-node quantum Monte Carlo for molecule2012
- Author(s)
  立川仁典, 北幸海
- Journal Title
  
  巨大分子系の計算化学
  
  Volume: (in Japanese) Pages: 34-38
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Systematic theoretical investigation of positron-binding to amino acid molecules with ab initio multi-component molecular orbital approach2012
- Author(s)
  K. Koyanagi, Y. Kita, and M. Tachikawa
- Journal Title
  
  Eur. Phys. J. D
  
  Volume: 66
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Vibrational enhancement of positron affinities for nonpolar carbon dioxide and carbon disulfide molecules: Multi- component molecular orbital study for vibrational excited states2012
- Author(s)
  K. Koyanagi, Y. Kita, and M. Tachikawa
- Journal Title
  
  Int. J. Quant. Chem.
  
  Volume: 113 Pages: 382-385
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Theoretical investigations of nuclear quantum effect on molecular magnetic properties based on multi-component density functional theory2011
- Author(s)
  Y. Kita and M. Tachikawa
- Journal Title
  
  Comp. Theor. Chem
  
  Volume: 975 Pages: 9-12
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Theoretical study of the reversible photoconversion mechanism in Dronpa2011
- Author(s)
  J. Koseki, Y. Kita, U. Nagashima, and M. Tachikawa
- Journal Title
  
  Procedia Comput. Sci
  
  Volume: 4 Pages: 251-260
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Bound states of positron with nitrile species with configuration interaction multi- component molecular orbital approach2011
- Author(s)
  M. Tachikawa, Y. Kita, and R. J. Buenker
- Journal Title
  
  Phys. Chem. Chem. Phys
  
  Volume: 13 Pages: 2701-2705
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Bound states of positron with nitrite species with configuration interaction multi-component molecular orbital approach.2011
- Author(s)
  M.Tachikawa, Y.Kita, R.J.Buenker
- Journal Title
  
  Phys.Chem.Chem.Phys.
  
  Volume: 13 Pages: 2701-2705
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Theoretical investigations of nuclear quantum effect on molecular magnetic properties based on multi-component density functional theory2011
- Author(s)
  Y.Kita, M.Tachikawa
- Journal Title
  
  Comp.Theor.Chem.
  
  Volume: 975 Pages: 9-12
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Theoretical study of the reversible photoconversion mechanism in Dronpa.2011
- Author(s)
  J.Koseki, Y.Kita, U.Nagashima, M.Tachikawa
- Journal Title
  
  Procedia Comput.Sci.
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Role of CH-pi interaction energy in self-assembled gear-shaped amphiphile molecules : Correlated ab initio molecular orbital and density functional theory study2011
- Author(s)
  J.Koseki, Y.Kita, S.Hiraoka, U.Nagashima, M.Tachikawa
- Journal Title
  
  Theor.Chem.Acc.
  
  Volume: 130 Pages: 1055-1059
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] 新しい分子物理化学の確立―ポジトロニクス（陽電子技術）にむけて2011
- Author(s)
  立川仁典, 北幸海
- Journal Title
  
  化学（最新のトピックス）
  
  Volume: 66 Pages: 68-69
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Bound states of positron with nitrile species with configuration interaction multi-component molecular orbital approach.2011
- Author(s)
  M.Tachikawa, Y.Kita, R.J.Buenker
- Journal Title
  
  Phys.Chem.Chem.Phys.
  
  Volume: 13 Pages: 2701-2705
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Theoretical investigations of nuclear quantum effect on molecular magnetic properties based on multi-component density functional theory.2011
- Author(s)
  Y.Kita, M.Tachikawa
- Journal Title
  
  Comp.Theor.Chem.
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Theoretical study of the reversible photoconversion mechanism in Dronpa2011
- Author(s)
  J.Koseki, Y.Kita, U.Nagashima, M.Tachikawa
- Journal Title
  
  Procedia Comput.Sci.
  
  Volume: 4 Pages: 251-260
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Role of CH-pi interaction energy in self-assembled gear-shaped amphiphile molecules: Correlated ab initio molecular orbital and density functional theory study2011
- Author(s)
  J. Koseki, Y. Kita, S. Hiraoka, U. Nagashima, M. Tachikawa
- Journal Title
  
  Theor. Chem. Acc.
  
  Volume: 130 Pages: 1055-1059
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Ab initio quantum Monte Carlo study of the binding of a positron to alkali-metal hydrides2011
- Author(s)
  Y. Kita, R. Maezono, M. Tachikawa, M. Towler, R. J. Needs
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 135
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Role of CH-pi interaction energy in self-assembled gear-shaped amphiphile molecules : Correlated ab initio molecular orbital and density functional theory study2011
- Author(s)
  J. Koseki, Y. Kita, S. Hiraoka, U. Nagashima, and M. Tachikawa
- Journal Title
  
  Theor. Chem. Acc
  
  Volume: 130 Pages: 1055-1059
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Theoretical investigations of nuclear quantum effect on molecular magnetic properties based on multi-component density functional thenry.2011
- Author(s)
  Y.Kita, M.Tachikawa
- Journal Title
  
  Comp.Theor.Chem.
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Molecular dynamics simulation for irreversible feature of green fluorescent protein before and after photoactivation.2011
- Author(s)
  J.Koseki, Y.Kita, M.Tachikawa
- Journal Title
  
  Chem.Lett.
  
  Volume: 40 Pages: 476-477
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Theoretical study of the reversible photoconversion mechanism in Dronpa.2011
- Author(s)
  J.Koseki, Y.Kita, U.Nagashima, M.Tachikawa
- Journal Title
  
  Procedia Comput.Sci.
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Molecular dynamics simulation for irreversible feature of green fluorescent protein before and after photoactivation.2011
- Author(s)
  J.Koseki, Y.Kita, M.Tachikawa
- Journal Title
  
  Chem.Lett.
  
  Volume: 40 Pages: 476-477
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Molecular dynamics simulation for irreversible feature of green fluorescent protein before and after photoactivation2011
- Author(s)
  J. Koseki, Y. Kita, M. Tachikawa
- Journal Title
  
  Chem. Lett.
  
  Volume: 40 Pages: 476-477
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Theoretical investigations of nuclear quantum effect on molecular magnetic properties based on multi-component density functional theory2011
- Author(s)
  Y. Kita, M. Tachikawa
- Journal Title
  
  Comp. Theor. Chem.
  
  Volume: 975 Pages: 9-12
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Molecular dynamics simulation for irreversible feature of green fluorescent protein before and after photoactivation2011
- Author(s)
  J. Koseki, Y. Kita, and M. Tachikawa
- Journal Title
  
  Chem. Lett
  
  Volume: 40 Pages: 476-477
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Ab initio quantum Monte Carlo study of the binding of a positron to alkali-metal hydrides2011
- Author(s)
  Y. Kita, R. Maezono, M. Tachikawa, M. Towler, and R. J. Needs
- Journal Title
  
  J. Chem. Phys
  
  Volume: 135
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Theoretical investigations of nuclear quantum effect on molecular magnetic properties based on multi-component density functional theory2011
- Author(s)
  Y. Kita, M. Tachikawa
- Journal Title
  
  Comp.Theor.Chem. in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Bound states of positron with nitrile species with configuration interaction multi-component molecular orbital approach2011
- Author(s)
  M. Tachikawa, Y. Kita, R.J. Buenker
- Journal Title
  
  Phys.Chem.Chem.Phys. 13
  
  Pages: 2701-2705
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Theoretical study of the reversible photoconversion mechanism in Dronpa2011
- Author(s)
  J. Koseki, Y. Kita, U. Nagashima, M. Tachikawa
- Journal Title
  
  Procedia Comput. Sci.
  
  Volume: 4 Pages: 251-260
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Ab initio quantum Monte Carlo study of the binding of a positron to alkali-metal hydrides2011
- Author(s)
  Y.Kita, R.Maezono, M.Tachikawa, M.Towler, R.J.Needs
- Journal Title
  
  J.Chem.Phys.
  
  Volume: 135
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Molecular dynamics simulation for irreversible feature of green fluorescent protein before and after photoactivation2011
- Author(s)
  J.Koseki, Y.Kita, M.Tachikawa
- Journal Title
  
  Chem.Lett.
  
  Volume: 40 Pages: 476-477
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Bound states of positron with nitrile species with configuration interaction multi-component molecular orbital approach2011
- Author(s)
  M.Tachikawa, Y.Kita, R.J.Buenker
- Journal Title
  
  Phys.Chem.Chem.Phys.
  
  Volume: 13 Pages: 2701-2705
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Molecular dynamics simulation for irreversible feature of green fluorescent protein before and after photoactivation2011
- Author(s)
  J. Koseki, Y. Kita, M. Tachikawa
- Journal Title
  
  Chem.Lett. 40
  
  Pages: 476-477
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Theoretical study of the reversible photoconversion mechanism in Dronpa2011
- Author(s)
  J. Koseki, Y. Kita, U. Nagashima, M. Tachikawa
- Journal Title
  
  Procedia Comput.Sci. in press
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] 新しい分子物理化学の確立-ポジトロニクス(陽電子技術)にむけて2011
- Author(s)
  立川仁典, 北幸海
- Journal Title
  
  化学(最新のトピックス)
  
  Volume: 66(in Japanese) Pages: 68-69
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Bound states of positron with nitrile species with configuration interaction multi-component molecular orbital approach2011
- Author(s)
  M. Tachikawa, Y. Kita, R. J. Buenker
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 13 Pages: 2701-2705
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350010
[Journal Article] Formation of Schiff-base for photoreaction mechanism of red shift of GFP spectra.2010
- Author(s)
  J.Koseki, Y.Kita, M.Tachikawa
- Journal Title
  
  Biophys.Chem.
  
  Volume: 147 Pages: 140-145
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Formation of Schiff-base for photoreaction mechanism of red shift of GFP spectra2010
- Author(s)
  J. Koseki, Y. Kita, M. Tachikawa
- Journal Title
  
  Biophys.Chem. 147
  
  Pages: 140-145
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Formation of Schiff-base for photoreaction mechanism of red shift of GFP spectra2010
- Author(s)
  J.Koseki, Y.Kita, M.Tachikawa
- Journal Title
  
  Biophys.Chem. 147
  
  Pages: 140-145
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Formation of Schiff-base for photoreaction mechanism of red shift of GFP spectra.2010
- Author(s)
  J.Koseki, Y.Kita, M.Tachikawa
- Journal Title
  
  Biophys.Chem.
  
  Volume: 147 Pages: 140-145
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] A Variational Monte Carlo Study of Positronic Compounds Using Inhomogeneous Backflow Transformations2010
- Author(s)
  Y. Kita, M. Tachikawa, N.D. Drummond, R.J. Needs
- Journal Title
  
  Chem.Lett. 39
  
  Pages: 1136-1137
- NAID
  10027315042
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] A Variational Monte Carlo Study of Positronic Compounds Using Inhomogeneous Backflow Transformations.2010
- Author(s)
  Y.Kita, M.Tachikawa, N.D.Drummond, R.J.Needs
- Journal Title
  
  Chem.Lett.
  
  Volume: 39 Pages: 1136-1137
- NAID
  10027315042
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] First-principles calculation and TEM, UPS, and TPD measurements for hydrogen adsorption on carbon nanowalls2010
- Author(s)
  Y.Kita, S.Hayashi, I.Kinoshita, M.Tachibana, M.Tachikawa, K.Kobayashi, M.Tanimura
- Journal Title
  
  J.Appl.Phys. (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] First-principles calculation and transmission electron microscopy observation for hydrogen adsorption on carbon nanowalls.2010
- Author(s)
  Y.Kita, S.Hayashi, I.Kinoshita, M.Tachibana, M.Tachikawa, K.Kobayashi, M.Tanimura
- Journal Title
  
  J.Appl.Phys.
  
  Volume: 108
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] First-principles calculation and transmission electron microscopy observation for hydrogen adsorption on carbon nanowalls.2010
- Author(s)
  Y.Kita, S.Hayashi, I.Kinoshita, M.Tachibana, M.Tachikawa, K.Kobayashi, M.Tanimura
- Journal Title
  
  J.Appl.Phys.
  
  Volume: 108
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] A Variational Monte Carlo Study of Positronic Compounds Using In homogeneous Backflow Transformations.2010
- Author(s)
  Y.Kita, M.Tachikawa, N.D.Drummond, R.J.Needs
- Journal Title
  
  Chem.Lett.
  
  Volume: 39 Pages: 1136-1137
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] First-principles calculation and transmission electron microscopy observation for hydrogen adsorption on carbon nanowalls2010
- Author(s)
  Y. Kita, S. Hayashi, I. Kinoshita, M. Tachibana, M. Tachikawa, K. Kobayashi, M. Tanimura
- Journal Title
  
  J.Appl.Phys. 108
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Ab initio quantum Monte Carlo study of the positronic hydrogen cyanide molecule2009
- Author(s)
  Y. Kita, R. Maezono, M. Tachikawa, M. Towler, R.J. Needs
- Journal Title
  
  J.Chem.Phys. 251
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Nuclear quantum effects on molecular magnetic properties2009
- Author(s)
  Y. Kita, M. Tachikawa
- Journal Title
  
  J.Mol.Structure(Theochem) 912
  
  Pages: 2-4
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Nuclear quantum effects on molecular magnetic properties2009
- Author(s)
  Y.Kita, M.Tachikawa
- Journal Title
  
  J.Mol.Structure(Theochem) 912
  
  Pages: 2-4
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Positron binding properties for F-(H_2O)_n and Cl-(H_2O)_n (n=0-3) clusters2009
- Author(s)
  Y. Kita, M. Tachikawa
- Journal Title
  
  Chem.Phys.Lett. 482
  
  Pages: 201-206
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Ab initio quantum Monte Carlo study of the positronic hydrogen cyanide molecule2009
- Author(s)
  Y.Kita, R.Maezono, M.Tachikawa, M.Towler, R.J.Needs
- Journal Title
  
  J.Chem.Phys. 131
  
  Pages: 134310-134310
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Nuclear Quantum Effect on Molecular Magnetic Properties for Low Barrier Hydrogen-bonded Systems Based on Multi-component Density Functional Theory2009
- Author(s)
  Y. Kita, T. Udagawa, M. Tachikawa
- Journal Title
  
  Chem.Lett. 38
  
  Pages: 1156-1157
- NAID
  10027175657
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Positron binding properties for F^-(H_2O)_n and Cl^-(H_2O)_n(n=0-3)clusters2009
- Author(s)
  Y.Kita, M.Tachikawa
- Journal Title
  
  Chem.Phys.Left. 482
  
  Pages: 201-206
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Journal Article] Nuclear Quantum Effect on Molecular Magnetic Properties for Low Barrier Hydrogen-bonded Systems Based on Multi-component Density Functional Theory2009
- Author(s)
  Y.Kita, T.Udagawa, M.Tachikawa
- Journal Title
  
  Chem.Lett. 38
  
  Pages: 1156-1157
- NAID
  10027175657
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20350013
[Presentation] 量子モンテカルロ法を用いたフッ素分子二価アニオンの陽電子化合物に関する理論的解析2023
- Author(s)
  沼田健太郎，吉田大輔，立川仁典，北幸海
- Organizer
  第17回分子科学討論会2023大阪
- Data Source
  KAKENHI-PROJECT-21K04983
[Presentation] 量子モンテカルロ法を用いた分子ジアニオンの陽電子束縛に関する理論研究2022
- Author(s)
  伊藤駿平，吉田大輔，北幸海，島崎智実，立川仁典
- Organizer
  第16回分子科学討論会2022横浜
- Data Source
  KAKENHI-PROJECT-21K04983
[Presentation] アニオン2量体の陽電子化合物に対する量子モンテカルロ法を用いた第一原理理論研究2022
- Author(s)
  伊藤駿平, 吉田大輔, 北幸海, 島崎智実, 立川仁典
- Organizer
  日本物理学会2022年秋季大会
- Data Source
  KAKENHI-PROJECT-21K04983
[Presentation] 量子モンテカルロ法を用いた陽電子束縛による水素分子負イオンの安定性に関する理論的研究2021
- Author(s)
  伊藤駿平，吉田大輔，北幸海，立川仁典
- Organizer
  第15回分子科学討論会2021 札幌
- Data Source
  KAKENHI-PROJECT-21K04983
[Presentation] van der Waals クラスターにおける陽電子束縛の理論的研究2021
- Author(s)
  古島弥来, 吉田大輔, 北幸海, 島崎智実, 立川仁典
- Organizer
  日本コンピュータ化学会2021年秋季年会
- Data Source
  KAKENHI-PROJECT-21K04983
[Presentation] Backflow変換を用いた新規振動座標による非調和振動状態理論の開発2021
- Author(s)
  石井桐子、立川仁典、島崎智実、北幸海
- Organizer
  日本化学会第102回春季年会(2022)
- Data Source
  KAKENHI-PROJECT-21K04983
[Presentation] 多原子分子に対する陽電子対消滅スペクトルに関する理論的解析2020
- Author(s)
  土肥海人，立川仁典，北幸海
- Organizer
  日本化学会第100春季年会2020
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] Development of accurate anharmonic vibrational state theory using a novel vibrational coordinate based on backflow transformation2019
- Author(s)
  ISHII, Kiriko; TACHIKAWA, Masanori; KITA, Yukiumi
- Organizer
  日本化学会第99春季年会 (2019)
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] アミノ酸分子への陽電子束縛と対消滅機構の理論的解析2019
- Author(s)
  尾崎真椰，北幸海，立川仁典
- Organizer
  第13回分子科学討論会2019名古屋
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] Backflow変換を用いた新規振動座標による非調和振動状態理論の開発2019
- Author(s)
  石井桐子，立川仁典，北幸海
- Organizer
  第13回分子科学討論会2019名古屋
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] 振動励起状態におけるアセトアルデヒド分子への陽電子束縛と対消滅メカニズムの理論的解析2019
- Author(s)
  土肥海人，立川仁典，北幸海
- Organizer
  第13回分子科学討論会2019名古屋
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] Backflow 変換を用いた新規振動座標による高精度非調和振動状態理論の開発2019
- Author(s)
  石井桐子, 立川仁典, 北幸海
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] Theoretical analysis of the binding of a positron to acetaldehyde molecule2019
- Author(s)
  DOHI, Kaito; TACHIKAWA, Masanori; KITA, Yukiumi
- Organizer
  日本化学会第99春季年会 (2019)
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] Ab Initio Study of the Effect of Molecular Vibrations on the Positron-Binding to Polyatomic Molecules2019
- Author(s)
  K. Dohi, Y. Kita, and M. Tachikawa
- Organizer
  XX International Workshop on Low-Energy Positron and Positronium Physics
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] 高精度非調和振動状態解析に向けたbackflow相関因子の開発2018
- Author(s)
  石井桐子、立川仁典、北幸海
- Organizer
  日本コンピュータ化学会2018年春季年会
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] CXY分子(X,Y=O,S)の陽電子親和力に関する理論的研究2018
- Author(s)
  古島弥来、北幸海、立川仁典
- Organizer
  第12回分子科学討論会2018福岡
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] Effects of molecular vibrations on the binding of a positron to polyatomic molecules2018
- Author(s)
  Yukiumi KITA, Yurika YAMADA, Umihiro URAKAWA, and Masanori TACHIKAWA
- Organizer
  50th European Group on Atomic Systems
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] First-principles study on the binding of a positron to polyatomic molecules2018
- Author(s)
  Yukiumi KITA
- Organizer
  16th International Congress of Quantum Chemistry
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] アセトアルデヒド分子への陽電子束縛に対するH/D同位体効果の理論的解析2018
- Author(s)
  土肥海人、立川仁典、北幸海
- Organizer
  日本コンピュータ化学会2018年春季年会
- Data Source
  KAKENHI-PROJECT-18K05041
[Presentation] 多原子分子の陽電子親和力に対するH/D同位体効果の理論的解析2017
- Author(s)
  浦川海尋、北幸海、立川仁典
- Organizer
  日本化学会第97春季年会 (2017)
- Place of Presentation
  慶応大学
- Year and Date
  2017-03-16
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] 陽電子化合物の第一原理計算におけるモデルポテンシャルの実装2016
- Author(s)
  武田湧，小山田隆行，北幸海，立川仁典
- Organizer
  日本物理学会　第71回年次大会
- Place of Presentation
  東北学院大学
- Year and Date
  2016-03-19
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] トリフルオロ酢酸の水素核磁気遮蔽定数に関する分子振動と温度の寄与を含めた理論的研究2016
- Author(s)
  渡邊佳晶、北幸海、立川仁典
- Organizer
  第10回分子科学討論会2016神戸
- Place of Presentation
  神戸
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] シアン化水素における陽電子親和力の H/D 同位体効果の理論的解明2016
- Author(s)
  浦川海尋、北幸海、立川仁典
- Organizer
  第10回分子科学討論会2016神戸
- Place of Presentation
  神戸
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] Theoretical analysis for stable structures of atmospheric ion NO3-(HNO3)2 and its water cluster2016
- Author(s)
  Yukiumi Kita, Atsuko Ueda, Masanori Tachikawa
- Organizer
  Twenty-first International Workshop on Quantum Systems in Chemistry, Physics, and Biology
- Place of Presentation
  Vancouver, BC, Canada
- Year and Date
  2016-07-02
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] Theoretical study of the effect of molecular vibrations on the positron binding to polyatomic molecules with multi-component molecular orbital and quantum Monte Carlo methods2015
- Author(s)
  Yukiumi Kita, Yurika Yamada, Masanori Tachikawa
- Organizer
  XVIII International Workshop on Low-Energy Positron and Positronium Physics
- Place of Presentation
  Lisbon, Portugal
- Year and Date
  2015-07-16
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] シアン化水素における陽電子親和力の H/D 同位体効果の理論的解明2015
- Author(s)
  浦川海尋、北幸海、立川仁典
- Organizer
  日本コンピュータ化学会２０１５春季年会
- Place of Presentation
  東京工業大学
- Year and Date
  2015-05-28
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] Theoretical study of the effect of molecular vibrations on the positron binding to polyatomic molecules with multi-component molecular orbital and quantum Monte Carlo methods2015
- Author(s)
  Yukiumi Kita, Yurika Yamada, Masanori Tachikawa
- Organizer
  XXIX INTERNATIONAL CONFERENCE on Photonic, Electronic and Atomic Collisions
- Place of Presentation
  Toledo, Spain
- Year and Date
  2015-07-22
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] シアン化水素における陽電子親和力の H/D 同位体効果の理論的解明2015
- Author(s)
  浦川海尋、北幸海、立川仁典
- Organizer
  第９回分子科学討論会２０１５東京
- Place of Presentation
  東京工業大学
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] Anharmonic vibrational state analyses of polyatomic molecules with quantum Monte Carlo method2015
- Author(s)
  Y. Kita, O. Fujioka, and M. Tachikawa
- Organizer
  Twentieth International Workshop on Quantum Systems in Chemistry, Physics and Biology
- Place of Presentation
  Varna, Bulgaria
- Year and Date
  2015-09-14
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] 多成分第一原理法による陽電子ホルムアルデヒド複合体の理論的解析2014
- Author(s)
  山田裕里佳, 北幸海, 立川仁典
- Organizer
  日本化学会第94春季年会2014
- Place of Presentation
  名古屋大学(愛知県)
- Year and Date
  2014-03-28
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] 多原子分子の振動励起状態への陽電子吸着に関する理論的解析2014
- Author(s)
  北幸海, 立川仁典
- Organizer
  日本物理学会第69回年次大会
- Place of Presentation
  東海大学(神奈川県)
- Year and Date
  2014-03-27
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Theoretical investigation of the binding of a positron to vibrational excited states of hydrogen cyanide molecule2013
- Author(s)
  Yukiumi Kita and Masanori Tachikawa
- Organizer
  THE VIIITH CONGRESS OF THE INTERNATIONAL SOCIETY FOR THEORETICAL CHEMICAL PHYSICS
- Place of Presentation
  Budapest, Hungary
- Year and Date
  2013-08-26
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Theoretical investigation of the binding of a positron to vibrational excited states of polyatomic molecules with quantum Monte Carlo method2013
- Author(s)
  Yukiumi Kita and Masanori Tachikawa
- Organizer
  5th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  Nara, Japan
- Year and Date
  2013-12-04
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] 多成分第一原理法による陽電子-ホルムアルデヒド複合体の理論的解析2013
- Author(s)
  山田裕里佳, 北幸海, 立川仁典
- Organizer
  第7回分子科学討論会2013京都
- Place of Presentation
  京都テルサ(京都府)
- Year and Date
  2013-09-25
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] 量子モンテカルロ法による多原子分子の振動励起状態への陽電子吸着機構の理論的解析2013
- Author(s)
  北幸海, 立川仁典
- Organizer
  第7回分子科学討論会2013京都
- Place of Presentation
  京都テルサ(京都府)
- Year and Date
  2013-09-27
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Theoretical study of a positron-attachment to vibrational excited states of nonpolar carbon disulfide molecule2013
- Author(s)
  Yu Takeda, Takayuki Oyamada, Yukiumi Kita, and Masanori Tachikawa
- Organizer
  The XVII International Workshop on Low-Energy Positron and Positronium Physic
- Place of Presentation
  Kanazawa, Japan
- Year and Date
  2013-07-20
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Theoretical investigation of the binding of a positron to vibrational excited states of hydrogen cyanide molecule2013
- Author(s)
  Yukiumi Kita and Masanori Tachikawa
- Organizer
  The XVII International Workshop on Low-Energy Positron and Positronium Physic
- Place of Presentation
  Kanazawa, Japan
- Year and Date
  2013-07-20
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Reputation Monte Carlo法を用いた多原子分子の振動状態解析2013
- Author(s)
  藤岡蔵, 北幸海, 立川仁典
- Organizer
  第7回分子科学討論会2013京都
- Place of Presentation
  京都テルサ(京都府)
- Year and Date
  2013-09-27
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Multicomponent molecular orbital study on positron attachment to alkali-metal hydride molecules2013
- Author(s)
  Yurika Yamada, Yukiumi Kita, and Masanori Tachikawa
- Organizer
  The XVII International Workshop on Low-Energy Positron and Positronium Physic
- Place of Presentation
  Kanazawa, Japan
- Year and Date
  2013-07-20
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] 量子モンテカルロ法を用いた多原子分子の高精度振動状態解析2013
- Author(s)
  藤岡蔵、北幸海、立川仁典
- Organizer
  第16回理論化学討論会
- Place of Presentation
  福岡市健康づくりサポートセンター（福岡県）
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] 量子モンテカルロ法を用いた多原子分子の高精度振動状態解析2013
- Author(s)
  藤岡蔵, 北幸海, 立川仁典
- Organizer
  第16回理論化学討論会
- Place of Presentation
  福岡市健康づくりサポートセンター
- Year and Date
  2013-05-16
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Development of reptation Monte Carlo method with accurate imaginary-time propagator based on Multi-product expansion2012
- Author(s)
  Yukiumi KITA and Masanori Tachikawa
- Organizer
  14th International Congress of Quantum Chemistry
- Place of Presentation
  Boulder, Colorado, USA
- Year and Date
  2012-06-26
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Multi-product展開を用いた Reptation Monte Carlo法の開発2012
- Author(s)
  北幸海、立川仁典
- Organizer
  第6回分子科学討論会
- Place of Presentation
  東京大学本郷キャンパス（東京都）
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Theoretical investigation of positron binding to polar molecules with quantum Monte Carlo method2012
- Author(s)
  Yukiumi KITA and Masanori TACHIKAWA
- Organizer
  Cambodian Malaysian Chemical Conference
- Place of Presentation
  Siem Reap, Cambodia
- Year and Date
  2012-10-20
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Multi-product 展開を用いた Reptation Monte Carlo 法の開発: 多原子分子の振動状態への適用2012
- Author(s)
  北幸海, 立川仁典
- Organizer
  第15回理論化学討論会
- Place of Presentation
  仙台市福祉プラザ（宮城県）
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Multi-product展開を用いたReptation Monte Carlo法の開発 : 多原子分子の振動状態への適用2012
- Author(s)
  北幸海, 立川仁典
- Organizer
  第15回理論化学討論会
- Place of Presentation
  仙台市福祉プラザ
- Year and Date
  2012-05-26
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Multi-product展開を用いたReptation Monte Carlo法の開発2012
- Author(s)
  北幸海, 立川仁典
- Organizer
  第6回分子科学討論会
- Place of Presentation
  東大本郷キャンパス
- Year and Date
  2012-09-21
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] 多成分量子モンテカルロ法による陽電子ハロゲン化物複合体の理論的解析2009
- Author(s)
  竹田知弘, 北幸海, 前園涼, 立川仁典
- Organizer
  日本物理学会第63回年次大会
- Place of Presentation
  池袋
- Data Source
  KAKENHI-PROJECT-20350013
[Presentation] 多成分量子モンテカルロ法を用いた全自由度量子計算2008
- Author(s)
  北幸海, 前園涼, 立川仁典
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-20350013
[Presentation] 多成分量子モンテカルロ法による水素イオンクラスターの研究2008
- Author(s)
  北幸海, 前園涼, 立川仁典
- Organizer
  日本物理学会2008年秋季大会
- Place of Presentation
  岩手大学
- Data Source
  KAKENHI-PROJECT-20350013
[Presentation] The effect of molecular vibrations on the binding of a positron to polyatomic molecules
- Author(s)
  Yukiumi Kita and Masanori Tachikawa
- Organizer
  5th French-Japanese Workshop on Computational Methods in Chemist
- Place of Presentation
  Strasbourg, France
- Year and Date
  2014-06-30 – 2014-07-01
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] Theoretical investigation of the effect of molecular vibrations on the binding of a positron to polyatomic molecules
- Author(s)
  Yukiumi Kita, Masanori Tachikawa
- Organizer
  10th Congress of the World Association of Theoretical and Computational Chemists
- Place of Presentation
  Santiago, Chile
- Year and Date
  2014-10-05 – 2014-10-10
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] 多成分第一原理法による陽電子ホルムアルデヒド複合体の理論的解析
- Author(s)
  山田裕里佳、北幸海、立川仁典
- Organizer
  日本化学会第94春季年会2014
- Place of Presentation
  名古屋大学（愛知県）
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Reputation Monte Carlo法を用いた多原子分子の振動状態解析
- Author(s)
  藤岡蔵、北幸海、立川仁典
- Organizer
  第７回分子科学討論会２０１３京都
- Place of Presentation
  京都テルサ（京都府）
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] 量子モンテカルロ法を用いた多原子分子の高精度振動状態解析
- Author(s)
  藤岡蔵、北幸海、立川仁典
- Organizer
  第16回理論化学討論会
- Place of Presentation
  福岡市健康づくりサポートセンター（福岡県）
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] 多成分第一原理法による陽電子-ホルムアルデヒド複合体の理論的解析
- Author(s)
  山田裕里佳、北幸海、立川仁典
- Organizer
  第７回分子科学討論会２０１３京都
- Place of Presentation
  京都テルサ（京都府）
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Theoretical study of the effect of molecular vibrations on the positron binding to polyatomic molecules with multi-component molecular orbital and quantum Monte Carlo methods
- Author(s)
  Yukiumi Kita, Masanori Tachikawa
- Organizer
  XIXth International Workshop on Quantum Systems in Chemistry, Physics and Biology
- Place of Presentation
  Tamsui, Taiwan
- Year and Date
  2014-11-11 – 2014-11-17
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] 量子モンテカルロ法による多原子分子の振動励起状態への陽電子吸着機構の理論的解析
- Author(s)
  北幸海、立川仁典
- Organizer
  第７回分子科学討論会２０１３京都
- Place of Presentation
  京都テルサ（京都府）
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] Vibrational enhancement of positron affinities of polyatomic molecules: theoretical study with multi-component molecular orbital and quantum Monte Carlo methods
- Author(s)
  Yukiumi Kita, Masanori Tachikawa
- Organizer
  9th Congress on Electronic Structure: Principles and Applications
- Place of Presentation
  Badajoz, Spain
- Year and Date
  2014-07-02 – 2014-07-04
- Data Source
  KAKENHI-PROJECT-26410020
[Presentation] 多原子分子の振動励起状態への陽電子吸着に関する理論的解析
- Author(s)
  北幸海、立川仁典
- Organizer
  日本物理学会第６９回年次大会
- Place of Presentation
  東海大学（神奈川県）
- Data Source
  KAKENHI-PROJECT-24750022
[Presentation] The effect of molecular vibrations on the binding of a positron to polyatomic molecules: theoretical study with multi-component molecular orbital and quantum Monte Carlo methods
- Author(s)
  Yukiumi Kita
- Organizer
  Vibrational enhancement of positron affinities of polyatomic molecules: theoretical study with multi-component molecular orbital and quantum Monte Carlo methods
- Place of Presentation
  Hanoi, Vietnam
- Year and Date
  2014-11-07 – 2014-11-09
- Invited
- Data Source
  KAKENHI-PROJECT-26410020

1. TACHIKAWA Masanori (00267410)

# of Collaborated Projects: 5 results

# of Collaborated Products: 107 results
2. SHIGA Motoyuki (40370407)

# of Collaborated Projects: 3 results

# of Collaborated Products: 0 results
3. NAGASSHIMA Umpei (90164417)

# of Collaborated Projects: 2 results

# of Collaborated Products: 8 results
4. MAEZONO RYO (40354146)

# of Collaborated Projects: 1 results

# of Collaborated Products: 5 results
5. UDAGAWA TARO (70509356)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 高柳敏幸 (90354894)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 関本奏子 (40583399)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. TAKEDA Yu

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
9. FUJIOKA Osamu

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
10. NAKAYAMA Ryota

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
11. URAKAWA Umihiro

# of Collaborated Projects: 1 results

# of Collaborated Products: 4 results
12. 重田育照

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Kita Yukiumi 北 幸海

KITA YUKIUMI 北 幸海

Research Projects

Research Products

Co-Researchers

多成分系分子理論の発展・深化による新奇陽電子媒介分子の安定化機構の理論的解明Principal Investigator

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質量分析実験と量子化学計算の協働によるマススペクトルパターンの標準化法の確立

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Developments of computational positron spectroscopy based on quantum Monte Carlo methodPrincipal Investigator

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Theoretical study on the mechanism of the positron bindings to polyatomic molecules based on quantum Monte Carlo methodPrincipal Investigator

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Theoretical study of the H/D isotope effects on the binding of a positron to polyatomic moleculesPrincipal Investigator

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Origin

Principal Investigator

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Development of anharmonic vibrational state theory based on quantum Monte Carlo method and applications to the binding of a positron to non-polar moleculePrincipal Investigator

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Development on the integrated system of quantum multi component molecular theories and its application to protonics and positronics

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量子・熱ゆらぎを考慮した生体分子高次系クラスターの理論的解明

Principal Investigator

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Development of highly accurate Multi-Component Molecular Theory and its application

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[Journal Article] Stability and bonding nature of positronic lithium molecular dianion2023

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[Journal Article] Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO2)n(n=1~5)2023

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[Journal Article] A comprehensive theoretical study of positron binding and annihilation properties of hydrogen bonded binary molecular clusters2022

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Kita Yukiumi 北幸海

KITA YUKIUMI 北幸海