Publications using SALMON-v0

Published papers that use SALMON will be useful to know what SALMON can do. We list papers that use SALMON and its former programs including GCEED developed in Institute of Molecular Science and ARTED developed in University of Tsukuba. If you publish a paper using SALMON and the paper does not appear here, please let us know of it.

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.7b0274

• [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).
  DOI: 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).
  DOI: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)
  http://dx.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)
  http://dx.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)
  http://dx.doi.org/10.1021/acs.jpcc.5b1084

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
  DOI: 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
  DOI: 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 )
  DOI: 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
  DOI: 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
  DOI: 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)
  http://dx.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).
  DOI: 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).
  DOI: 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).
  DOI: 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
  DOI: 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).
  DOI: 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)
  http://dx.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)
  http://dx.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)
  http://dx.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
  DOI: 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).
  DOI: 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).
  DOI: 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)
  http://dx.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).
  DOI: 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).
  DOI: 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)
  http://dx.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)
  http://dx.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)
  http://dx.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)
  http://dx.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)
  http://dx.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)
  http://dx.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)
  http://dx.doi.org/10.1103/PhysRevA.70.04341