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2012 Fiscal Year Final Research Report

Theoretical study of quantum transition by stress tensor density

Research Project

  • PDF
Project/Area Number 22550011
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionKyoto University

Principal Investigator

TACHIBANA Akitomo  京都大学, 大学院・工学研究科, 教授 (40135463)

Co-Investigator(Kenkyū-buntansha) SENAMI Masato  京都大学, 大学院・工学研究科, 助教 (40431770)
ICHIKAWA Kazuhide  京都大学, 大学院・工学研究科, 助教 (50401287)
Project Period (FY) 2010 – 2012
Keywords量子電磁力学 / 電子ストレステンソル / スピントルク / ツェータ力 / キラリティー / 誘電率周波数分散 / 局所誘電率 / 局所電気伝導率
Research Abstract

We have developed a new computational code for quantum transition based on QED (Quantum Electrodynamics). We have applied it for studies of chirality and frequency dispersion of dielectric constant, and obtained new insights. As for the chirality study, using model molecules, we havestudied how chiral and achiral structures react on circularly polarized photon, through the quantities like the spin torque density, and have shown the clear difference between them. For the study of dielectric constant, its local frequency dependence of simple atoms is shown. We distribute our program code in our web site.

  • Research Products

    (31 results)

All 2013 2012 2011 2010 Other

All Journal Article (22 results) (of which Peer Reviewed: 20 results) Presentation (7 results) Book (1 results) Remarks (1 results)

  • [Journal Article] Study of Simulation Method of Time Evolution in Rigged QED2013

    • Author(s)
      Kazuhide Ichikawa, Masahiro Fukuda and Akitomo Tachibana
    • Journal Title

      International Journal of Quantum Chemistry

      Volume: 113 Pages: 190-202

    • DOI

      DOI:10.1002/qua.24087

    • Peer Reviewed
  • [Journal Article] General relativistic symmetry of electron spin torque2012

    • Author(s)
      Akitomo Tachibana
    • Journal Title

      Journal of Mathematical Chemistry

      Volume: 50 Pages: 669-688

    • DOI

      DOI:10.1007/s10910-011-9943-z

    • Peer Reviewed
  • [Journal Article] Aluminum Hydride Clusters as Hydrogen Storage Materials and their Electronic Stress Tensor Analysis2012

    • Author(s)
      Kazuhide Ichikawa, Yuji Ikeda, Ryo Terashima and Akitomo Tachibana
    • Journal Title

      Proceedings for THERMEC'2011 Materials Science Forum Vols

      Volume: 709 Pages: 539-1544

    • DOI

      doi:10.4028/www.scientific.net/MSF.706-709.1539

    • Peer Reviewed
  • [Journal Article] Electron spin torque in atoms2012

    • Author(s)
      Takaaki Hara, Masato Senami, AkitomoTachibana
    • Journal Title

      Physics Letters A

      Volume: 376 Pages: 1434-1441

    • DOI

      DOI:10.1016/j.physleta.2012.03.028

    • Peer Reviewed
  • [Journal Article] Local electric conductive property of Si nanowire models2012

    • Author(s)
      Yuji Ikeda, Masato Senami, and Akitomo Tachibana
    • Journal Title

      AIP Advances 2

    • DOI

      doi:10.1063/1.4769887

    • Peer Reviewed
  • [Journal Article] Theoretical Study of Lithium Clusters by Electronic Stress Tensor2012

    • Author(s)
      Kazuhide Ichikawa, Hiroo Nozaki, Naoya Komazawa and Akitomo Tachibana。
    • Journal Title

      AIP Advances 2

    • DOI

      DOI:10.1063/1.4774037

    • Peer Reviewed
  • [Journal Article] Local Dielectric Property of Cubic, Tetragonal, and Monoclinic Hafnium Oxides2011

    • Author(s)
      Masato Senami, Yasushi Tsuchida, Akinori Fukushima, Yuji Ikeda, Akitomo Tachibana
    • Journal Title

      Japanese Journal of Applied Physics 51

      Volume: 11

    • Peer Reviewed
  • [Journal Article] Theoretical study of adsorption of lithium atom on carbon nanotube2011

    • Author(s)
      Masato Senami, Yuji Ikeda, Akinori Fukushima, Akitomo Tachibana
    • Journal Title

      AIP Advances

    • DOI

      doi:10.1063/1.3651182

    • Peer Reviewed
  • [Journal Article] Theoretical study of gallium nitride crystal growth reaction mechanism2011

    • Author(s)
      Yuji Ikeda, Norifumi Ohmori, Noriaki Maida, Masato Senami, Akitomo Tachibana
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 50

    • DOI

      DOI:10.1143/JJAP.50.125601

    • Peer Reviewed
  • [Journal Article] nverted-sandwich-type and open-lantern-type dinuclear transition metal complexes: theoretical study of chemical bonds by electronic stress tensor2011

    • Author(s)
      Kazuhide Ichikawa, Ayumu Wagatsuma,Yusaku I. Kurokawa, Shigeyoshi Sakaki, Akitomo Tachibana
    • Journal Title

      Theoretical Chemistry Accounts

      Volume: 130 Pages: 237-250

    • DOI

      DOI:10.1007/s00214-011-0966-0

    • Peer Reviewed
  • [Journal Article] ole of an Aluminum atom on Graphene for Hydrogen Adsorption2011

    • Author(s)
      Akinori Fukushima, Akira Sawairi, Kentaro Doi, Masato Senami, Liang Chen, Hansong Cheng, and Akitomo Tachibana
    • Journal Title

      Journal of Physical Society of Japan

      Volume: 80

    • DOI

      DOI:10.1143/JPSJ.80.074705

    • Peer Reviewed
  • [Journal Article] Nanosize Electronics Material Analysis by LocalQuantities Based on the Rigged QED2011

    • Author(s)
      Masato Senami, Y. Ikeda, Takaaki Hara, Akitomo Tachibana
    • Journal Title

      Key Engineering Materials

      Volume: 470 Pages: 66-71

    • DOI

      doi:10.4028/www.scientific.net/KEM.470.66

    • Peer Reviewed
  • [Journal Article] Theoretical study of hydrogenated tetrahedral aluminum clusters2011

    • Author(s)
      Kazuhide Ichikawa, Yuji Ikeda, Ayumu Wagatsuma, Kouhei Watanabe, PawelSzarek and Akitomo Tachibana
    • Journal Title

      International Journal of Quantum Chemistry

      Volume: 11 Pages: 3548-3555

    • DOI

      DOI:10.1002/qua.22848

    • Peer Reviewed
  • [Journal Article] Reactivity and Regioselectivity of Aluminum Nanoclusters: Insights from Regional Density Functional Theory2011

    • Author(s)
      D. J. Henry, P. Szarek, K. Hirai, K.Ichikawa, A. Tachibana and I. Yarovsky
    • Journal Title

      Journal of Physical Chemistry C

      Volume: 115 Pages: 1714-1723

    • DOI

      DOI:10.1021/jp109804y

    • Peer Reviewed
  • [Journal Article] Local Transport Property of GaN Cluster as a Model of Nanowire2011

    • Author(s)
      Masato Senami, Yuji Ikeda, and Akitomo Tachibana
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 50

    • DOI

      DOI:10.1143/JJAP.50.010103

    • Peer Reviewed
  • [Journal Article] Local Dielectric Property of Hafnium and Lanthanum Atoms in HfLaOx2010

    • Author(s)
      Akinori Fukushima, Shinya Sugino, Yasushi Tsuchida, Masato Senami, Akitomo Tachibana
    • Journal Title

      Japanese Journal of Applied Physics 49

    • Peer Reviewed
  • [Journal Article] Calculation of the electronic statein electronic current for nanowiremodels2010

    • Author(s)
      Masato Senami, Yuji Ikeda, Akinori Fukushima, and Akitomo Tachibana
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 49

    • Peer Reviewed
  • [Journal Article] A Non-Hermitian Coupled Perturbed Hartree-Fock Method for Complex Potentials and Calculations of Electronic Structures with Electric Currents

    • Author(s)
      Yuji Ikeda, Masato Senami, and Akitomo Tachibana
    • Journal Title

      Transactions of the Materials Research Society of Japan

    • Peer Reviewed
  • [Journal Article] Time Evolution of Heisenberg Operators of Nuclei and Electrons of QED System Based on Field Theory

    • Author(s)
      Masato Senami, Toshihide Miyazato, Soujirou Takada, Yuji Ikeda, Akitomo Tachibana
    • Journal Title

      Journal of Physics: Conference Series

    • Peer Reviewed
  • [Journal Article] Coupled perturbed Hartree-Fock method for non-Hermitian Hamiltonians

    • Author(s)
      Yuji Ikeda, Masato Senami, and Akitomo Tachibana
    • Journal Title

      Journal of Physics: Conference Series

  • [Journal Article] Electronic stress tensor analysis of hydrogenated palladium clusters

    • Author(s)
      Kazuhide Ichikawa, Ayumu Wagatsuma,Pawel Szarek, Chenggang Zhou, Hansong Cheng, Akitomo Tachibana
    • Journal Title

      Theoretical Chemistry Accounts

      Pages: 130:531-542

    • DOI

      DOI:10.1007/s00214-011-1044-3

    • Peer Reviewed
  • [Journal Article] Quantum chemical approaches to the electronic structures of nano-electronics materials

    • Author(s)
      Masato Senami and Akitomo Tachibana
    • Journal Title

      2010 10th IEEEInternational Conference on SolidState and Integrated Circuit Technology Proceedings

      Pages: 1765 - 1768

    • DOI

      DOI:10.1109/ICSICT.2010.5667357

  • [Presentation] Chirality and stress tensor of electron2012

    • Author(s)
      A. Tachibana
    • Organizer
      Modeling and Design of Molecular Materials 2012 (MDMM2012)
    • Place of Presentation
      Wrocraw, Poland(Plenary lecture, Invited, Oral)
    • Year and Date
      2012-09-12
  • [Presentation] Aluminum Hydride Clusters as Hydrogen Storage Materials and their Electronic Stress Tensor Analysis2011

    • Author(s)
      Kazuhide Ichikawa, Y. Ikeda, R. Terashima, Akitomo Tachiban
    • Organizer
      THERMEC'2011
    • Place of Presentation
      Quebec City Convention Center, Canada (Invited, Oral)
    • Year and Date
      2011-08-02
  • [Presentation] 「Quantum chemical calculation for CVD process of GeSbTe」2010

    • Author(s)
      市川和秀, 立花明知、新谷俊通
    • Organizer
      相変化記録研究会
    • Place of Presentation
      熱海ニューフジヤホテル, (口頭、招待講演)
    • Year and Date
      2010-11-25
  • [Presentation] Quantum chemical approaches to the electronic structures of nano-electronics materials2010

    • Author(s)
      M. Senami, A. Tachibana
    • Organizer
      International Conference on Solid-State and Integrated Circuit Technology
    • Place of Presentation
      InterContinental Hotel, China, (Invited, Oral)
    • Year and Date
      2010-11-03
  • [Presentation] CVD プロセスの分子論的解明に向けて量子化学の果たす役割2010

    • Author(s)
      立花明知
    • Organizer
      化学工学会第42回秋季大会
    • Place of Presentation
      同志社大学 (口頭,展望講演)
    • Year and Date
      2010-09-08
  • [Presentation] Energy density concept: a stress tensor approach2010

    • Author(s)
      A. Tachibana
    • Organizer
      Moldeling and Design of Molecular Materials 2010
    • Place of Presentation
      Wrocraw, Poland (Plenary lecture, Invited, Oral)
    • Year and Date
      2010-07-05
  • [Presentation] Quantum chemical approaches to the electronic structures of nano electronics materials2010

    • Author(s)
      M. Senami and A. Tachibana
    • Organizer
      The International Symposium on Advanced Nanomaterials and Nanosystems 2010
    • Place of Presentation
      Clock Tower, Kyoto University (Invited, Oral)
    • Year and Date
      2010-05-20
  • [Book] Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity2013

    • Author(s)
      Akitomo Tachibana
    • Total Pages
      235-251
    • Publisher
      CRC
  • [Remarks] QEDynamics

    • URL

      http://www.tachibana.kues.kyoto-u.ac.jp/qed/index.html

URL: 

Published: 2014-08-29  

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