First-principles simulation for many-electron dynamics in femto-second scale

2008 Fiscal Year Final Research Report

• Project/Area Number: 18540366
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Mathematical physics/Fundamental condensed matter physics
• Research Institution: University of Tsukuba
• Principal Investigator: YABANA Kazuhiro University of Tsukuba, 大学院・数理物質科学研究科, 教授 (70192789)
• Co-Investigator(Kenkyū-buntansha): NAKATSUKASA Takashi 独立行政法人理化学研究所, 中務原子核理論研究室, 准主任研究員 (40333786) ; HASHIMOTO Yukio 筑波大学, 大学院・数理物質科学研究科, 講師 (50189510) ; OTOBE Tomohito 独立行政法人日本原子力研究開発機構, 研究員 (60421442)
• Project Period (FY): 2006 – 2008
• Keywords: 時間依存密度汎関数理論 / 第一原理計算 / 超高速現象 / 光物性 / 高強度超短パルスレーザー / 振動子強度

Research Abstract

時間依存密度汎関数理論に基づき、多電子の量子ダイナミクスを第一原理から記述するシミュレーション法を発展させ、高強度・超短パルスレーザーなどで誘起されるフェムト秒スケールでの電子運動を明らかにした。特筆すべき成果として、誘電体にパルスレーザーを照射して起こる光絶縁破壊現象に対して初めて微視的なメカニズムを明らかにしたこと、フラーレンなどサイズの大きな分子に対する高精度な振動子強度分布計算を可能にしたことが挙げられる。

Research Products

• [Journal Article] Time-dependent density-functional theory simulation for electron-ion dynamics in molecules under intense laser pulses (2009)
  • Author(s): Y.Kawashita, T.Nakatsukasa, K.Yabana
  • Journal Title: J. Phys. Cond. Matter 21(6) Pages: 064224
  • Peer Reviewed
• [Journal Article] Iwata, First-principles calculation of the electron dynamics in crystalline SiO2 (2009)
  • Author(s): T.Otobe, K.Yabana, J.-I
  • Journal Title: J. Phys. Cond. Matter 21(6) Pages: 064224
  • Peer Reviewed
• [Journal Article] TDDFT approach to photoabsorption in even-even nuclei (2009)
  • Author(s): T.Nakatsukasa, T.Inakura, K.Yabana
  • Journal Title: Int. J. Mod. Phys A24 Pages: 2159-2167
  • Peer Reviewed
• [Journal Article] Time-dependent description for nuclear reaction dynamics in the continuum (2008)
  • Author(s): K.Yabana, T.Nakatsukasa, M.Ito
  • Journal Title: Few-Body Systems 43(1-4) Pages: 247-253
  • Peer Reviewed
• [Journal Article] BertschFirst-principles electron dynamics simulation for optical breakdown of dielectrics under an intense laser field (2008)
  • Author(s): T.Otobe, M.Yamagiwa, J.-I.Iwata, K.Yabana, T.Nakatsukasa
  • Journal Title: Phys. Rev B77(16) Pages: 165104
  • Peer Reviewed
• [Journal Article] Time-dependent approaches for reaction and responses of unstable nuclei (2008)
  • Author(s): T.Nakatsukasa, K.Yabana, M.Ito
  • Journal Title: Eur. Phys. J. Special Topics 156 Pages: 249-256
  • Peer Reviewed
• [Journal Article] Moment distributions of clusters and molecules in the adiabatic rotor model (2008)
  • Author(s): G.E.Ballentine, G.F.Bertsch, N.Onishi, K.Yabana
  • Journal Title: Comp. Phys. Comm 178 Pages: 48-51
• [Journal Article] Time-dependent approaches for reaction and response in unstable nuclei (2008)
  • Author(s): T.Nakatsukasa, K.Yabana, M.Ito
  • Journal Title: Eur. Phys. J. Special Topics 156 Pages: 249-256
  • Peer Reviewed
• [Journal Article] Stochastic approachto correlation beyond the mean field with the Skyrme interaction (2008)
  • Author(s): T.Nakatsukasa, S.Shinohara, H.Ohta, K.Yabaa
  • Journal Title: Nucl. Phys A805 Pages: 347-349
  • Peer Reviewed
• [Journal Article] Density-functional calculation for the tunnel ionization rate of hydrocarbon molecules (2007)
  • Author(s): T.Otobe, K.Yabana
  • Journal Title: Phys. Rev A75 Pages: 062507
  • Peer Reviewed
• [Journal Article] 多電子ダイナミクスの量子シミュレーション-時間依存密度汎関数理論の最近の発展- (2007)
  • Author(s): 矢花一浩
  • Journal Title: 日本物理学会誌 62(6) Pages: 406-414
  • Peer Reviewed
• [Journal Article] Fusion reactions of halo nuclei : a real-time wave-packet method for three-body tunneling dynamics (2007)
  • Author(s): M.Ito, K.Yabana, T.Nakatsukasa, M.Ueda
  • Journal Title: Nucl. Phys A787 Pages: 267-274
  • Peer Reviewed
• [Journal Article] Real-time Skyrme TDHF dynamics of giant resonances (2007)
  • Author(s): T.Nakatsukasa, K.Yabana
  • Journal Title: Nucl. Phys A788 Pages: 349-354
  • Peer Reviewed
• [Journal Article] Finite amplitude method for the solution of the random-phase approximation (2007)
  • Author(s): T.Nakatsukasa, T.Inakura, K.Yabana
  • Journal Title: Phys. Re C76 Pages: 024318
  • Peer Reviewed
• [Journal Article] Photoinduced electric currents in ring-shaped molecules by circularly polarized pulses (2007)
  • Author(s): K.Nobusada, K.Yabana
  • Journal Title: Phys. Rev A75 Pages: 032518
  • Peer Reviewed
• [Journal Article] Oscillator strength distribution of C60 in the time-dependent density functional theory
  • Author(s): Y.Kawashita, K.Yabana, M.Noda, K.Nobusada, T.Nakatsukasa
  • Journal Title: J. Mol. Struct. THEOCHEM (in press)
  • Peer Reviewed
• [Presentation] First-principles simulation for electron-ion dynamics in molecules and dielectrics under an intense laser pulse (2009)
  • Author(s): K.Yabana
  • Organizer: COAST/CORAL symposium on ultrafast intense laser science in Karuizawa
  • Place of Presentation: Karuizawa, Japan
  • Year and Date: 20090312-14
• [Presentation] Time-dependent mean-field theory in nuclear and electronic systems (2008)
  • Author(s): K.Yabana
  • Organizer: 6^<th> Japan-Italy Symposium on heavy-ion physics
  • Place of Presentation: Tokai, Japan
  • Year and Date: 20081111-14
• [Presentation] Dynamics in dielectrics induced by ultrashort laser pulses (2008)
  • Author(s): K.Yabana
  • Organizer: Time-dependent density-functional theory : prospects and applications, Benasque, Spain
  • Year and Date: 20080821-0915
• [Presentation] Simulation for electron dynamics in solid under intense laser pulse (2008)
  • Author(s): K.Yabana
  • Organizer: ISSP Int.Symp.on "Frontiers and applications of the density functional theory
  • Place of Presentation: Tokyo, Japan
  • Year and Date: 20080801-03
• [Presentation] TDDFT for fermionic dynamics : Coulomb vs nuclear systems (2008)
  • Author(s): K.Yabana
  • Organizer: JUSTIPEN-EFES-Hokudai-UNEDF meeting
  • Place of Presentation: Onuma, Japan
  • Year and Date: 20080721-25
• [Presentation] TDDFT description for laser-induced breakdown in dielectrics (2007)
  • Author(s): K.Yabana
  • Organizer: Minerva Gentner symposium on time-dependent density functional theory
  • Place of Presentation: Eilat, Israel
  • Year and Date: 20071216-21
• [Presentation] Time-dependent description for nuclear reaction dynamics in the continuum- reaction and response of exotic nuclei- (2007)
  • Author(s): K.Yabana
  • Organizer: 20^<th> Eur. Conf. on few-body problems in physics
  • Place of Presentation: Pisa, Italy
  • Year and Date: 20070910-14
• [Presentation] Configuration mixing calculation with Skyrme Hamiltonian (2007)
  • Author(s): K.Yabana
  • Organizer: UNEDF workshop
  • Place of Presentation: Pac Forest, USA
  • Year and Date: 20070812-17
• [Presentation] Time-dependent method for structure and reaction (2007)
  • Author(s): T.Nakatsukasa
  • Organizer: Int. Workshop on many-body open quantum systems : From atomic nuclei to quantum dots
  • Place of Presentation: Trento, Italy
  • Year and Date: 20070514-0518
• [Presentation] Time-dependent approaches for reaction and responses of unstable nuclei (2007)
  • Author(s): T.Nakatsukasa
  • Organizer: Theoretical nuclear physics school "Exotic Nuclei : New Challenges
  • Place of Presentation: Les Houches, France
  • Year and Date: 20070507-18
• [Presentation] Simulation for electron dynamics in dielectric material under intense laser pulse (2007)
  • Author(s): K.Yabana
  • Organizer: The 2^<nd> Canada-Japan SRO-COAST symposium on ultrafast intense laser science
  • Place of Presentation: Quebec, Canada
  • Year and Date: 20070305-09
• [Presentation] Real-time simulation for the electron-ion dynamics in solid induced by laser field (2006)
  • Author(s): K.Yabana
  • Organizer: Int. Workshop on first principles calculation of correlated electrons
  • Place of Presentation: Tokyo, Japan
  • Year and Date: 20061130-1201
• [Presentation] First-principles simulation for electron dynamics in molecules and solids under intense laser field (2006)
  • Author(s): K.Yabana
  • Organizer: Canada-Japan SRO-COAST symposium on ultrafast intense laser science I
  • Place of Presentation: Tokyo, Japan
  • Year and Date: 20060707-08