SALMONを用いた出版物

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SALMONを用いた出版論文は、SALMONで何ができるのかを知るのに有効です。 以下に、SALMON及び分子科学研究所で開発されてきたGCEED、筑波大学で開発されてきたARTEDを含むSALMONの前身となるプログラムを用いて出版された論文をリストします。 もしSALMONを用いた論文で下記に挙げられていないものがあれば、お知らせ下さい。

2017

  • [Nanostructure] [Acetylene/IRMOF-10] [Optical near field]
    M. Noda, M. Yamaguchi and K. Nobusada,
    Second Harmonic Excitation of Acetylene by the Optical Near Field Generated in a Porous Material
    J. Phys. Chem. C 121, 11687 (2017)
    https://doi.org/10.1021/acs.jpcc.7b02744
  • [Interface] [SiO2–graphene–boron nitride] [Bias Voltage]
    K. Iida, M. Noda and K. Nobusada,
    Development of Theoretical Approach for Describing Electronic Properties of Hetero-Interface Systems under Applied Bias Voltage
    J. Chem. Phys. 146, 084706 (2017)
    https://doi.org/10.1063/1.4976970

2016

  • [Solid][Diamond][Attosecond]
    M. Lucchini, S.A. Sato, A. Ludwig, J. Herrmann, M. Volkov, L. Kasmi, Y. Shinohara, K. Yabana, L. Gallmann, U. Keller
    Attosecond dynamical Franz-Keldysh effect in polycrystalline diamond
    Science 353, 916-919 (2016).
    https://doi.org/10.1126/science.aag1268
  • [Solid][SiO2][Attosecond]
    A. Sommer, E.M. Bothschafter, S.A. Sato, C. Jakubeit, T. Latka, O. Razskazovskaya,H. Fattahi, M. Jobst, W. Schweinberger, V. Shirvanyan, V.S. Yakovlev, R. Kienberger, K. Yabana, N. Karpowicz, M. Schultze, F. Krausz
    Attosecond nonlinear polarization and light-matter energy transfer in solids
    Nature 534, 86-90 (2016).
    https://doi.org/10.1038/nature17650
  • [Molecule] [Para-Dinitrobenzene, Paranitroaniline] [Optical Near Field]
    M. Yamaguchi and K. Nobusada,
    Large Hyperpolarizabilities of the Second Harmonic Generation Induced by Nonuniform Optical Near Fields
    J. Phys. Chem. C 120, 23748 (2016)
    https://doi.org/10.1021/acs.jpcc.6b08507
  • [Interface] [Silicene–amine] [Electric Field Bias]
    K. Iida and K. Nobusada
    Electric field effects on the electronic properties of the silicene-amine interface
    Phys. Chem. Chem. Phys. 18, 15639 (2016)
    https://doi.org/10.1039/c6cp02157c
  • [Cluster] [Au133(SPhtBu)52] [Linear Response]
    K. Iida, M. Noda and K. Nobusada
    Interface Electronic Properties Between a Gold Core and Thiolate Ligands: Effects on an Optical Absorption Spectrum in Au133(SPh-tBu)52
    J. Phys. Chem. C 120, 2753 (2016)
    https://doi.org/10.1021/acs.jpcc.5b10846

2015

  • [Solid][Diamond][Nonlinear Optics]
    T. Otobe, Y. Shinohara, S.A. Sato, K. Yabana
    Femtosecond time-resolved dynamical Franz-Keldysh effect
    Phys. Rev. B93, 045124 (2016).
    arXiv:1504.01458
    https://doi.org/10.1103/PhysRevB.93.045124
  • [Solid][SiO2][Optical Current]
    G. Wachter, S.A. Sato, C. Lemell, X.M. Tong, K. Yabana, J. Burgdoerfer
    Controlling ultrafast currents by the non-linear photogalvanic effect
    New J. Phys. 17, 123026 (2015).
    arXiv:1503.06146
    https://doi.org/10.1088/1367-2630/17/12/123026
  • [Molecule][Endohedral Fullerene][Attosecond]
    G. Wachter, S. Nagele, S.A. Sato, R. Pazourek, M. Wais, C. Lemell, X.-M. Tong, K. Yabana, J. Burgdoerfer
    Protocol for observing molecular dipole excitations by attosecond self-streaking
    Phys. Rev. A92, 061403(R)
    arXiv:1505.05857 )
    https://doi.org/10.1103/PhysRevA.92.061403
  • [Solid][Silicon, Germanium][Linear Response, Nonlinear Optics]
    S.A. Sato, Y. Taniguchi, Y. Shinohara, K. Yabana
    Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory
    J. Chem. Phys. 143, 224116 (2015)
    arXiv:1507.05156
    https://doi.org/10.1063/1.4937379
  • [Solid][SiO2][Laser Damage]
    S.A. Sato, K. Yabana, Y. Shinohara, T. Otobe, K.M. Lee, G.F. Bertsch
    Time-dependent density functional theory of high-intensity, short-pulse laser irradiation on insulators
    Phys. Rev. B92 205413 (6 pages) (2015).
    arXiv: 1412.1445
    https://doi.org/10.1103/PhysRevB.92.205413
  • [Interface] [Ag Cluster/Dielectric Surface] [Electronic Structure, Linear Response]
    K. Iida, M. Noda and K. Nobusada
    Control of Optical Response of a Supported Cluster on Different Dielectric Substrates
    J. Chem. Phys. 142 214702 (2015)
    https://doi.org/10.1063/1.4921840

2014

  • [Solid][Silicon][Attosecond]
    M. Schultze, K. Ramasesha, C.D. Pemmaraju, S.A. Sato, D. Whitmore, A. Gandman, J.S. Prell, L.J. Borja, D. Prendergast, K. Yabana, D.M. Neumark, S.R. Leone
    Attosecond band-gap dynamics in silicon
    Science 346(6215), 1348-1352 (2014).
    https://doi.org/10.1126/science.1260311
  • [Solid][Silicon][Nonlinear Optics]
    S.A. Sato, Y. Shinohara, T. Otobe, K. Yabana
    Dielectric response of laser-excited silicon at finite electron temperature
    Phys. Rev. B.90(17), 174303 (8 pages) (2014).
    https://doi.org/10.1103/PhysRevB.90.174303
  • [Algorithm]
    S.A. Sato, K. Yabana
    Maxwell+TDDFT multi-scale simulation for laser-matter interactions
    J. Adv. Simulat. Sci. Eng. 1(1), 98-110 (2014).
    https://doi.org/10.15748/jasse.1.98
  • [Solid][SiO2][Optical Current]
    G. Wachter, C. Lemell, J. Burgdoerfer, S.A. Sato, X.-M. Tong, K. Yabana
    Ab Initio Simulation of Electrical Currents Induced by Ultrafast Laser Excitation of Dielectric Materials
    Phys. Rev. Lett. 113(8), 087401 (5 pages) (2014).
    arXiv:1401.4357
    https://doi.org/10.1103/PhysRevLett.113.087401
  • [Solid][SiO2][Nonlinear Optics]
    S.A. Sato, K. Yabana
    Efficient basis expansion for describing linear and nonlinear electron dynamics in crystalline solids
    Phys. Rev. B 89(22), 224305 (11 pages) (2014).
    https://doi.org/10.1103/PhysRevB.89.224305
  • [Cluster] [Aun (n = 54, 146, 308, 560, 922, 1414)] [Plasmon]
    K. Iida, M. Noda, K. Ishimura and K. Nobusada
    First-Principles Computational Visualization of Localized Surface Plasmon Resonance in Gold Nanoclusters
    J. Phys. Chem. A 118, 11317 (2014)
    https://doi.org/10.1021/jp5088042
  • [Interface] [4-mercaptopyridine/Ag Electrode] [Raman]
    K. Iida, M. Noda and K. Nobusada
    Theoretical Approach for Optical Response in Electrochemical Systems: Application to Electrode Potential Dependence of Surface-Enhanced-Raman Scattering
    J. Chem. Phys. 141, 124124 (2014)
    https://doi.org/10.1063/1.4896537
  • [Algorithm] [Nanostructure] [C60 Array]
    M. Noda, K. Ishimura, K. Nobusada, K. Yabana and T. Boku
    Massively-Parallel Electron Dynamics Calculations in Real-time and Real-Space: Toward Applications to Nanostructures of more than Ten-Nanometers in Size
    J. Comp. Phys. 265, 145 (2014)
    https://doi.org/10.1016/j.jcp.2014.02.006

2013

  • [Solid][Silicon][Nonlinear Optics]
    S.A. Sato, K. Yabana, Y. Shinohara, T. Otobe, G.F. Bertsch
    Numerical pump-probe experiments of laser-excited silicon in nonequilibrium phase
    Phys. Rev. B 89(6), 064304 (8 pages) (2014).
    arXiv:1303.3249
    https://doi.org/10.1103/PhysRevB.89.064304
  • [Solid][SiO2][Laser Damage]
    K.-M. Lee, C.M. Kim, S.A. Sato, T. Otobe, Y. Shinohara, K. Yabana, T.M. Jeong
    First-principles simulation of the optical response of bulk and thin-film α-quartz irradiated with an ultrashort intense laser pulse
    J. Appl. Phys. 115(5), 053519 (8 pages) (2014).
    https://doi.org/10.1063/1.4864662

2012

  • [Solid][Sb][Coherent Phonon]
    Y. Shinohara, S.A. Sato, K. Yabana, J.-I. Iwata, T. Otobe, G.F. Bertsch
    Nonadiabatic generation of coherent phonons
    J. Chem. Phys. 137(22), 22A527 (8 pages) (2012).
    https://doi.org/10.1063/1.4739844
  • [Molecule] [Pyrazine/Na4] [Raman]
    M. Noda, T. Yasuike, K. Nobusada and M. Hayashi
    Enhanced Raman spectrum of pyrazine with the aid of resonant electron dynamics in a nearby cluster
    Chem. Phys. Lett. 550, 52 (2012)
    https://doi.org/10.1016/j.cplett.2012.08.059

2011

  • [Solid][Silicon][Nonlinear Optics]
    K. Yabana, T. Sugiyama, Y. Shinohara, T. Otobe, G.F. Bertsch
    Time-dependent density functional theory for strong electromagnetic fields in crystalline solids
    Phys. Rev. B85(4), 045134 (11 pages) (2012).
    https://doi.org/10.1103/PhysRevB.85.045134
  • [Molecule][Inorganic][MCD]
    K.-M. Lee, K. Yabana, G.F. Bertsch
    Magnetic circular dichroism in real-time time-dependent density functional theory
    J. Chem. Phys. 134(14), 144106 (9 pages) (2011).
    https://doi.org/10.1063/1.3575587
  • [Surface] [Cs/Cu(111)] [Linear Response]
    T. Yasuike and K. Nobusada
    Open-boundary cluster model implemented in first-principles calculations for electronic excited states of an adsorbate-surface system
    Phys. Rev. B 84, 245408 (2011)
    https://doi.org/10.1103/PhysRevB.84.245408

2010

  • [Molecule] [C60] [Optical Near Field]
    T. Iwasa and K. Nobusada
    Near-field-induced optical force on a metal particle and C60: Real-time and real-space electron dynamics simulation
    Phys. Rev. A 82, 043411 (2010)
    https://doi.org/10.1103/PhysRevA.82.043411

2009

  • [Molecule] [NC6N] [Optical Near Field]
    T. Iwasa and K. Nobusada
    Nonuniform light-matter interaction theory for near-field-induced electron dynamics
    Phys. Rev. A 80 043409 (2009)
    https://doi.org/10.1103/PhysRevA.80.043409


  • [Molecule] [C60] [Linear Response]
    Y. Kawashita, K. Yabana, M. Noda, K. Nobusada and T. Nakatsukasa
    Oscillator Strength Distribution of C60 in the Time-Dependent Density Functional Theory
    J. Mol. Struct.: Theochem 914, 130 (2009)
    https://doi.org/10.1016/j.theochem.2009.04.022

2007

  • [Molecule] [Na10, Benzene] [Photocurrent]
    K. Nobusada and K. Yabana
    Photoinduced electric currents in ring-shaped molecules by circularly polarized laser pulses
    Phys. Rev. A 75, 032518 (2007)
    https://doi.org/10.1103/PhysRevA.75.032518

2005

  • [Cluster] [Ag2] [Nonlinear Optics]
    K. Shiratori, K. Nobusada and K. Yabana
    Multiple ionization of a silver diatomic molecule in an intense laser field
    Chem. Phys. Lett. 404, 365 (2005)
    https://doi.org/10.1016/j.cplett.2005.01.124

2004

  • [Cluster] [Ag2, Ag8] [Nonlinear Optics]
    K. Nobusada and K. Yabana,
    High-order harmonic generation from silver clusters: Laser-frequency dependence and the screening effect of d electrons
    Phys. Rev. A 70, 043411 (2004)
    https://doi.org/10.1103/PhysRevA.70.043411
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