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Developments of many-dimensional quantum dynamics for chemical reactions

Research Project

Project/Area Number 23245002
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionThe University of Tokyo

Principal Investigator

TAKATSUKA KAZUO  東京大学, 総合文化研究科, 教授 (70154797)

Project Period (FY) 2011-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥49,530,000 (Direct Cost: ¥38,100,000、Indirect Cost: ¥11,430,000)
Fiscal Year 2014: ¥9,620,000 (Direct Cost: ¥7,400,000、Indirect Cost: ¥2,220,000)
Fiscal Year 2013: ¥9,620,000 (Direct Cost: ¥7,400,000、Indirect Cost: ¥2,220,000)
Fiscal Year 2012: ¥14,430,000 (Direct Cost: ¥11,100,000、Indirect Cost: ¥3,330,000)
Fiscal Year 2011: ¥15,860,000 (Direct Cost: ¥12,200,000、Indirect Cost: ¥3,660,000)
Keywords反応動力学 / 分子分光 / 化学反応 / 分子動力学 / 電子・エネルギー移動 / 理論化学 / 電子状態
Outline of Final Research Achievements

We have established a theory and practical methods to propagate a wavepacket in the level beyond the leading term of the WKB approximation. Our wavepacket is of the Maslov-type, which is a product of a quantum phase due to the action integral and a component describing the internal diffusive motion within it. This packet is propagated along a single (classical) action surface, and hence is called Action Decomposed Function (ADF). It has been shown that the equation of motion for ADF, which is linear, is of a sum of the spatial gradient of the classical momentum field (momentum gradient) and quantum diffusion kernel with an imaginary diffusion constant. We have shown the mechanism (and its practical method as well) for quantum diffusion to smooth away the singularity that inherently manifests itself in quantum-classical correspondence as in semiclassics like the primitive WKB theory, and thereby a novel way of understanding of quantum mechanics is suggested.

Report

(5 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Annual Research Report
  • 2012 Annual Research Report
  • 2011 Annual Research Report
  • Research Products

    (77 results)

All 2015 2014 2013 2012 2011 Other

All Journal Article (17 results) (of which Peer Reviewed: 17 results,  Acknowledgement Compliant: 2 results) Presentation (51 results) (of which Invited: 20 results) Book (5 results) Remarks (4 results)

  • [Journal Article] Control Scheme of Nonadiabatic Transitions with the Dynamical Shift of Potential Curve Crossing.2014

    • Author(s)
      Scheit, S., Arasaki, Y., Takatsuka、K.
    • Journal Title

      J. Chem. Phys.

      Volume: 140 Issue: 24

    • DOI

      10.1063/1.4884784

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] On the Electron Wavepacket Dynamics of Photoionizing States.2014

    • Author(s)
      Takatsuka, K.
    • Journal Title

      J. Phys. B

      Volume: 47 Issue: 12 Pages: 124038-124038

    • DOI

      10.1088/0953-4075/47/12/124038

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Electronic quantum effects mapped onto non-Born-Oppenheimer nuclear paths: Nonclassical surmounting over potential barriers and trapping above the transition states due to nonadiabatic path-branching2014

    • Author(s)
      Kentaro Yamamoto and Kazuo Takatsuka
    • Journal Title

      J. Chem. Phys.

      Volume: 140 Issue: 12

    • DOI

      10.1063/1.4869191

    • Related Report
      2014 Annual Research Report 2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Towards many-dimensional real-time quantum theory for heavy particle dynamics. II. Beyond semiclassics by quantum smoothing of singularity in quantum-classical correspondence2014

    • Author(s)
      Kazuo Takatsuka and Satoshi Takahashi
    • Journal Title

      Phys. Rev. A

      Volume: 89 Issue: 1

    • DOI

      10.1103/physreva.89.012109

    • Related Report
      2014 Annual Research Report 2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Towards many-dimensional real-time quantum theory for heavy-particle dynamics. I. Semiclassics in the Lagrange picture of classical phase flow2014

    • Author(s)
      Satoshi Takahashi and Kazuo Takatsuka
    • Journal Title

      Phys. Rev. A

      Volume: 89 Issue: 1

    • DOI

      10.1103/physreva.89.012108

    • Related Report
      2014 Annual Research Report 2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Unified treatment of field-induced and intrinsic nonadiabatic transitions with a generalized Floquet Hamiltonian method2014

    • Author(s)
      Kota Hanasaki and Kazuo Takatsuka
    • Journal Title

      Phys. Rev. A

      Volume: 88

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Path-branching representation for nonadiabatic electron dynamics in conical intersection2013

    • Author(s)
      Takehiro Yonehara and Kazuo Takatsuka
    • Journal Title

      J. Phys. Chem. A

      Volume: 117 Pages: 8599-8608

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pulse-Train Photoelectron Spectroscopy of Electronic and Nuclear Dynamics in Molecules2013

    • Author(s)
      Yasuki Arasaki and Kazuo Takatsuka
    • Journal Title

      ChemPhysChem

      Volume: 14 Issue: 7 Pages: 1387-1396

    • DOI

      10.1002/cphc.201201094

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Communication: Induced photoemission from nonadiabatic dynamics assisted by dynamical Stark effect2013

    • Author(s)
      Yasuki Arasaki, Simona Scheit, Kazuo Takatsuka
    • Journal Title

      J. Chem. Phys.

      Volume: 138 Issue: 16

    • DOI

      10.1063/1.4803100

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Time-resolved high-harmonic spectroscopy of nonadiabatic dynamics in NO2.2012

    • Author(s)
      P. M. Kraus, Y. Arasaki, J. B. Bertrand, S. Patchkovskii, P. B. Corkum, D. M. Villeneuve, K. Takatsuka, and H. J. Woerner
    • Journal Title

      Phys. Rev. A

      Volume: 85 Issue: 4 Pages: 43409-43413

    • DOI

      10.1103/physreva.85.043409

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Nuclear and electron dynamics from femto- and subfemto-second time-resolved photoelectron angular distributions.2012

    • Author(s)
      Yasuki Arasaki, Kwanghsi Wang, Vincent McKoy, and Kazuo Takatsuka
    • Journal Title

      J Phys. B: At. Mol. Opt. Phys.

      Volume: 45 Issue: 19 Pages: 194006-194016

    • DOI

      10.1088/0953-4075/45/19/194006

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Early-Stage Dynamics in Coupled Proton-Electron Transfer from π-π*; State of Phenol to Solvent Ammonia Clusters: An Electron Dynamics Study.2012

    • Author(s)
      Kengo Nagashima and Kazuo Takatsuka
    • Journal Title

      J. Phys. Chem. A.

      Volume: 116 Issue: 46 Pages: 11167-11179

    • DOI

      10.1021/jp304781m

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electron wavepacket dynamics in highly quasi-degenerate coupled electronic states: A theory for chemistry where the notion of adiabatic potential energy surface loses the sense.2012

    • Author(s)
      Takehiro Yonehara and Kazuo Takatsuka
    • Journal Title

      J. Chem. Phys.

      Volume: 137 Issue: 22

    • DOI

      10.1063/1.4742155

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Dynamical electron mechanism of double proton transfer in formic acid dimer2012

    • Author(s)
      M.Okuyama, K.Takatsuka
    • Journal Title

      Bull.Chem.Soc.Jpn

      Volume: 85(2) Issue: 2 Pages: 217-227

    • DOI

      10.1246/bcsj.20110237

    • NAID

      130004153022

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Gneralization of the coherent-state path integrals and systematic derivation of semiclassical propagators2011

    • Author(s)
      S.Koda, K.Takatsuka
    • Journal Title

      Phys.Rev.A

      Volume: 83 Issue: 3

    • DOI

      10.1103/physreva.83.032117

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Fundamental Approaches to Nonadiabaticity : Toward a Chemical Theory beyond the Born-Oppenheimer Paradigm2011

    • Author(s)
      T.Yonehara, K.Hanasaki, K.Takatsuka
    • Journal Title

      Chemical Reviews

      Volume: 112 Issue: 1 Pages: 499-542

    • DOI

      10.1021/cr200096s

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Controlled Dynamics at an Avoided Crossing Interpreted in Terms of Dynamically Fluctuating Potential Energy Curves2011

    • Author(s)
      S.Scheit, Y.Arasaki, K.Takatsuka
    • Journal Title

      J.Phys.Chem.A

      Volume: 116 Issue: 11 Pages: 2644-2653

    • DOI

      10.1021/jp2071919

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Presentation] 化学反応電子動力学の基礎理論の展開と応用2015

    • Author(s)
      高塚 和夫
    • Organizer
      日本化学会第95春季年会
    • Place of Presentation
      日本大学理工学部 船橋キャンパス(千葉県船橋市)
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Photodynamics of OH dissociation and charge separation in X-MnOH2: A nonadiabatic electron wavepacket study2014

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      Quantum Systems in Chemistry, Physics and Biology (QSCP-XIX)
    • Place of Presentation
      Tamkang University, Taipei, Taiwan
    • Year and Date
      2014-11-11 – 2014-11-17
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Classical and quantum chaos in the dynamics of molecules2014

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      Quantum and classical chaos: What comes next?
    • Place of Presentation
      Univ. of Lyubljana, Lyubljana, Slovenia
    • Year and Date
      2014-10-09 – 2014-10-11
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 電子動力学と化学反応論2014

    • Author(s)
      高塚 和夫
    • Organizer
      第8回分子科学討論会
    • Place of Presentation
      広島大学(広島県東広島市)
    • Year and Date
      2014-09-21 – 2014-09-24
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Many-body quantum theory beyond the semiclassics by quantum smoothing of singularity in quantum-classical correspondence2014

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      9th International Summer Conference- LET'S FACE CHAOS THROUGH NONLINEAR DYNAMICS
    • Place of Presentation
      Univ. of Maribor, Maribor, Slovenia
    • Year and Date
      2014-06-22 – 2014-07-06
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Dynamical mechanisms and control of chemical reactions2014

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      反応化学討論会
    • Place of Presentation
      イーグレ姫路(兵庫県姫路市)
    • Year and Date
      2014-06-04 – 2014-06-06
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 多体量子動力学における量子効果とその解釈2014

    • Author(s)
      高塚 和夫
    • Organizer
      第17回理論化学討論会
    • Place of Presentation
      名古屋大学(愛知県名古屋市)
    • Year and Date
      2014-05-22 – 2014-05-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] Progress in Time Dependent Quantum Chemistry2014

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      CRC‐EC Joint International Symposium on Chemical Theory for Complex Systems
    • Place of Presentation
      Emory University (Georgia, USA)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Exploration of novel chemical reactions including non-adiabatic electron dynamics under laser fields.2014

    • Author(s)
      Takehiro Yonehara and Kazuo Takatsuka
    • Organizer
      54th Sanibel Symposium
    • Place of Presentation
      King and Prince Hotel (Georgia, USA)
    • Related Report
      2013 Annual Research Report
  • [Presentation] レーザー場と非断熱電子動力学が作る化学反応場2014

    • Author(s)
      米原丈博・高塚和夫
    • Organizer
      化学反応のポテンシャル曲面とダイナミックス
    • Place of Presentation
      九州大学理学部 (福岡県福岡市)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 一般化したFloquet法による強レーザー場中の電子‐核非断熱動力学2013

    • Author(s)
      花崎浩太・高塚和夫
    • 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(あいれふ)(福岡県福岡市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 量子散逸系における多次元波束動力学の半古典近似2013

    • Author(s)
      甲田信一・高塚和夫
    • 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(あいれふ)(福岡県福岡市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Electron dynamics in nonadiabatic chemical reactions: A pathbranching representation2013

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      Quantum Reactive Scattering (QRS12)
    • Place of Presentation
      University of Bordeaux (Bordeaux, France)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Many-dimensional quantum theory: Beyond semiclassic realm2013

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      CECAM Workshop: Many-dimensional quantum dynamics with (non)classical trajectories
    • Place of Presentation
      CECAM-HQ-EPFL (Lausanne, Switzerland)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Electronic and nuclear simultaneous dynamics in femto and subfemto timescales2013

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      The 11th Edition o f the Femtochemistry Conference
    • Place of Presentation
      Technical University of Denmark (Copenhagen, Denmark)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 超多体分子量子波束ダイナミクスの追跡に向けて2013

    • Author(s)
      高橋聡・高塚和夫
    • Organizer
      第7回分子科学討論会
    • Place of Presentation
      京都テルサ (京都府京都市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 高縮重電子励起状態における化学反応相の開拓に向けた 非断熱電子動力学研究;ホウ素クラスター2013

    • Author(s)
      米原丈博・高塚和夫
    • Organizer
      第7回分子科学討論会
    • Place of Presentation
      京都テルサ (京都府京都市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 外場中の非断熱系の振動ダイナミクスによる発光の理論研究2013

    • Author(s)
      新崎康樹・高塚和夫
    • Organizer
      第7回分子科学討論会
    • Place of Presentation
      京都テルサ (京都府京都市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 集光デンドリマーをモデルするハミルトニアンの直鎖分割2013

    • Author(s)
      甲田信一・高塚和夫
    • Organizer
      第7回分子科学討論会
    • Place of Presentation
      京都テルサ (京都府京都市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 非断熱遷移によって引き起こされる励起状態上でのディープトンネリングおよび摩擦2013

    • Author(s)
      山本憲太郎
    • Organizer
      第7回分子科学討論会
    • Place of Presentation
      京都テルサ (京都府京都市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 外場により誘起された非断熱過程からの発光の非線形ダイナミクス2013

    • Author(s)
      水野雄太・高塚和夫
    • Organizer
      第7回分子科学討論会
    • Place of Presentation
      京都テルサ (京都府京都市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 励起電子動力学と分子波束の非断熱分岐を利用した化学反応相の開拓2013

    • Author(s)
      米原丈博・高塚和夫
    • Organizer
      化学反応経路探索のニューフロンティア2013
    • Place of Presentation
      京大福井謙一記念研究センター (京都府京都市)
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Laser control of non-adiabatic electron wave packets and chemical reaction dynamics2013

    • Author(s)
      Takehiro Yonehara and Kazuo Takatsuka
    • Organizer
      A Peter Wall Colloquium Abroad and The 73rd Okazaki Conference on “Coherent and Incoherent Wave Packet Dynamics
    • Place of Presentation
      分子科学研究所 (愛知県岡崎市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Theoretical study on chemical reactions including non-adiabatic electron dynamics under laser fields2013

    • Author(s)
      Takehiro Yonehara and Kazuo Takatsuka
    • Organizer
      5th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      東大寺総合文化センター (奈良県奈良市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Nonadiabatic Electron Dynamics in Electron Transfer, Proton Transfer, Coupled Electron-proton Transfer2013

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      An International Conference on: "Electronic Structure and Dynamics of Molecules and Clusters"
    • Place of Presentation
      Indian Association for the Cultivation of Science, India
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 超多体半古典力学の構築2012

    • Author(s)
      高塚和夫・高橋聡
    • 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)
    • Related Report
      2012 Annual Research Report
  • [Presentation] 過渡光電子分光の量子振動波束定式化に現れる電子動力学2012

    • Author(s)
      新崎康樹・高塚和夫
    • 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)
    • Related Report
      2012 Annual Research Report
  • [Presentation] Dynamics of electrons in molecules and its nonadiabatic coupling with nuclei: observation and control2012

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      Festschrift for Prof. Vince McKoy
    • Place of Presentation
      California State univ., U. S. A.
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Nonadiabatic electron dynamics in chemical reactions2012

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      Advances in Quantum Chemistry: Interfacing Electronic Structure with Dynamics
    • Place of Presentation
      University of Minnesota, U. S. A.
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] フロケー法を用いたレーザー場中の分子非断熱動力学の研究2012

    • Author(s)
      花崎浩太・高塚和夫
    • Organizer
      日本物理学会2012年秋季大会
    • Place of Presentation
      横浜国立大学(神奈川県)
    • Related Report
      2012 Annual Research Report
  • [Presentation] 時間スケールが遅い自由度を古典的に扱う半古典プロパゲータの開発2012

    • Author(s)
      甲田信一・高塚和夫
    • Organizer
      第6回分子科学討論会
    • Place of Presentation
      東京大学(東京大学)
    • Related Report
      2012 Annual Research Report
  • [Presentation] 密集した励起状態を遍歴する電子の動力学と光化学過程における波束の非断熱分岐の記述2012

    • Author(s)
      米原丈博・高塚和夫
    • Organizer
      計算分子科学研究拠点 第3回研究会
    • Place of Presentation
      自然科学研究機構 岡崎コンファレンスセンター(愛知県)
    • Related Report
      2012 Annual Research Report
  • [Presentation] Theory of Nonadiabatic Electronic and Nuclear Dynamics in Laser Fields; Observation and Control2012

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      Frontiers in Optics 2012 Laser Science XXVIII
    • Place of Presentation
      Rochester Riverside Convention Center, U. S. A.
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Towards many dimensional wavepacket theory in chemical dynamics2012

    • Author(s)
      Satoshi Takahashi & Kazuo Takatsuka
    • Organizer
      The 17th Malaysian Chemical Congress 2012
    • Place of Presentation
      Putra World Trade Center, Malaysia
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Semiclassical studies in chemical reaction dynamics2012

    • Author(s)
      Satoshi Takahashi & Kazuo Takatsuka
    • Organizer
      Cambodian Malaysian Chemical Conference 2012
    • Place of Presentation
      Angkor Century Resort & Spa, Cambodia
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 分子内電子ダイナミクスの直接観測について2012

    • Author(s)
      高塚和夫
    • Organizer
      物性研究所 計算物質科学研究センター 第2回シンポジウム ~実験・計測・計算連携の新展開~
    • Place of Presentation
      東京大学物性研究所(千葉県)
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 量子古典反応における特異点の除去:超多体量子動力学に向けて2012

    • Author(s)
      高塚和夫
    • Organizer
      第3回CMSI研究会~超並列計算が拓く新しい計算物質科学~
    • Place of Presentation
      自然科学研究機構 岡崎コンファレンスセンター(愛知県)
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 高擬縮重電子状態を持つ系の電子動力学と光化学過程における波束の非断熱分岐の記述2012

    • Author(s)
      米原丈博・高塚和夫
    • Organizer
      第3回CMSI研究会~超並列計算が拓く新しい計算物質科学~
    • Place of Presentation
      自然科学研究機構 岡崎コンファレンスセンター(愛知県)
    • Related Report
      2012 Annual Research Report
  • [Presentation] 分子における電子の動的過程と多体量子動力学2012

    • Author(s)
      高塚和夫
    • Organizer
      第2回計算物質科学イニシアティブ(CMSI)研究会
    • Place of Presentation
      東北大学(招待講演)
    • Related Report
      2011 Annual Research Report
  • [Presentation] 大自由度多準位系における分岐波束上の電子位相動力学を記述する為の幅射場下分子非断熱遷移動力学理論と、Hybrid並列計算2012

    • Author(s)
      米原丈博, 高塚和夫
    • Organizer
      第2回計算物質科学イニシアティブ(CMSI)研究会
    • Place of Presentation
      東北大学
    • Related Report
      2011 Annual Research Report
  • [Presentation] 新しい計算機環境の時代における化学と産学連携2011

    • Author(s)
      高塚和夫
    • Organizer
      TCCI第1回産学連携シンポジウム
    • Place of Presentation
      野村コンファレンスプラザ日本橋(東京都)(招待講演)
    • Year and Date
      2011-11-24
    • Related Report
      2011 Annual Research Report
  • [Presentation] 時間依存半古典力学におけるcausticsとturning points2011

    • Author(s)
      高橋聡, 高塚和夫
    • Organizer
      第14回理論化学討論会
    • Place of Presentation
      岡山大学
    • Related Report
      2011 Annual Research Report
  • [Presentation] 多次元Phase-Space-And-Natural-Branching法を用いた、円錐交差領域における非断熱遷移動力学と電子量子位相の記述2011

    • Author(s)
      米原丈博, 高塚和夫
    • Organizer
      第14回理論化学討論会
    • Place of Presentation
      岡山大学
    • Related Report
      2011 Annual Research Report
  • [Presentation] Electron wavepacket dynamics in chemistry : From nonadiabatic reaction to control2011

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      110th Bunsentagung (Annual German Conference on Physical Chemistry)
    • Place of Presentation
      Freien Universitat Berlin (Germany)(招待講演)
    • Related Report
      2011 Annual Research Report
  • [Presentation] Observation and control of femtosecond and attosecond nonadiabatic processes in chemical dynamics2011

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      2011 Korea Japan Symposium on Molecular Science
    • Place of Presentation
      海雲台グランドホテル(韓国)(招待講演)
    • Related Report
      2011 Annual Research Report
  • [Presentation] 輻射場を用いた電子動力学・化学反応動力学制御の大規模計算機による理論予測に向けて2011

    • Author(s)
      米原丈博, 高塚和夫
    • Organizer
      計算物質科学イニシアティブ(CMSI)若手技術交流会
    • Place of Presentation
      計算科学研究機構:AICS
    • Related Report
      2011 Annual Research Report
  • [Presentation] 輻射場による電子動力学の改変を通じた化学動力学制御2011

    • Author(s)
      米原丈博, 高塚和夫
    • Organizer
      計算分子科学拠点(TCCI)第2回研究会
    • Place of Presentation
      計算科学研究機構:AICS
    • Related Report
      2011 Annual Research Report
  • [Presentation] Electron-wavepacket dynamics associated with proton transfer2011

    • Author(s)
      長島謙吾, 高塚和夫
    • Organizer
      計算分子科学拠点(TCCI)第2回研究会
    • Place of Presentation
      計算科学研究機構:AICS
    • Related Report
      2011 Annual Research Report
  • [Presentation] Nonadiabatic theory in electron wavepacket dynamics2011

    • Author(s)
      Kazuo Takatsuka
    • Organizer
      The 7th Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)
    • Place of Presentation
      Waseda University(招待講演)
    • Related Report
      2011 Annual Research Report
  • [Presentation] To higher semiclassical wavepacket theory for molecular dynamics2011

    • Author(s)
      S.Takahashi, K.Takatsuka
    • Organizer
      The 14th Asian Chemical Congress 2011
    • Place of Presentation
      Queen Sirikit National Convention Center, Bangkok, Thailand
    • Related Report
      2011 Annual Research Report
  • [Presentation] 分子研・計算分子科学拠点とクラスターダイナミクス2011

    • Author(s)
      高塚和夫
    • Organizer
      第5回分子シミュレーションスクール-基礎から応用まで-・TCCIウィンターカレッジ-分子シミュレーション-
    • Place of Presentation
      岡崎コンファレンスセンター(愛知県)(招待講演)
    • Related Report
      2011 Annual Research Report
  • [Book] Chemical Theory Beyond the Born-Oppenheimer Paradigm -Nonadiabatic Electronic and Nuclear Dynamics in Chemical Reactions-2014

    • Author(s)
      Takatsuka, K., Yonehara, Y., Hanasaki, K., Arasaki, Y.
    • Total Pages
      427
    • Publisher
      World Scientiific
    • Related Report
      2014 Annual Research Report
  • [Book] 分子熱統計力学 化学平衡から反応速度まで2014

    • Author(s)
      高塚 和夫,田中 秀樹
    • Total Pages
      220
    • Publisher
      東京大学出版会(東京)
    • Related Report
      2014 Annual Research Report
  • [Book] 巨大分子系の計算化学‐超大型計算機時代の理論化学の新展開2012

    • Author(s)
      大峯巌・高塚和夫他編著
    • Total Pages
      201
    • Publisher
      化学同人
    • Related Report
      2012 Annual Research Report
  • [Book] 電子動力学-その原子核運動との絡み合い.化学のブレークスルー-革新論文から見たこの10年の進歩と未来2012

    • Author(s)
      高塚和夫
    • Publisher
      化学同人
    • Related Report
      2011 Annual Research Report
  • [Book] 量子力学の非線形ダイナミクス 数理科学11月号2011

    • Author(s)
      高塚和夫, 高橋聡
    • Publisher
      サイエンス社
    • Related Report
      2011 Annual Research Report
  • [Remarks] 東京大学 大学院総合文化研究科 広域科学専攻 相関基礎科学系 高塚研究室

    • URL

      http://mns2.c.u-tokyo.ac.jp/

    • Related Report
      2014 Annual Research Report
  • [Remarks] 東京大学 大学院総合文化研究科 広域科学専攻 相関基礎科学系 高塚研究室

    • URL

      http://mns2.c.u-tokyo.ac.jp/

    • Related Report
      2013 Annual Research Report
  • [Remarks] 東京大学大学院総合文化研究科広域科学専攻相関基礎科学系高塚研究室

    • URL

      http://mns2.c.u-tokyo.ac.jp/

    • Related Report
      2012 Annual Research Report
  • [Remarks]

    • URL

      http://mns2.c.u-tokyo.ac.jp/

    • Related Report
      2011 Annual Research Report

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Published: 2011-04-06   Modified: 2019-07-29  

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