Difference between revisions of "Publications using SALMON"

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Published papers that use SALMON will be useful to know what SALMON can do.
 
Published papers that use SALMON will be useful to know what SALMON can do.
−
We list papers that uses SALMON and its former programs including GCEED developed in Institute of Molecular Science and ARTED developed in University of Tsukuba.  
+
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.
 
If you publish a paper using SALMON and the paper does not appear here, please let us know of it.
  
−
=== 2017 ===
+
===2018===
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*例 [Solid][Diamond][Attosecond] <br /> M. Lucchini, S.A. Sato, A. Ludwig, J. Herrmann, M. Volkov, L. Kasmi, Y. Shinohara, K. Yabana, L. Gallmann, U. Keller<br /> Attosecond dynamical Franz-Keldysh effect in polycrystalline diamond <br /> ''Science'' '''353''', 916-919 (2016). <br />  DOI: 10.1126/science.aag1268
 
  
 +
*[Solid] [Linear Response, Nonlinear Optics]<br />C. D. Pemmaraju, F. D. Vila, J. J. Kas, S. A. Sato, J. Rehr, K. Yabana, and David Prendergast<br /> Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set<br /> ''Comp. Phys. Comm.'' '''226''', 30 (2018)<br /> https://doi.org/10.1016/j.cpc.2018.01.013
  
−
*[Nanostructure] [Acetylene/IRMOF-10] [Optical near field] <br /> M. Noda, M. Yamaguchi and K. Nobusada, <br />Second Harmonic Excitation of Acetylene by the Optical Near Field Generated in a Porous Material <br /> ''J. Phys. Chem.'' ''' C 121''', 11687 (2017) <br />  http://dx.doi.org/10.1021/acs.jpcc.7b0274
+
*[HPC] [Performance Evaluation]<br />Y. Hirokawa, T. Boku, S. A. Sato, and K. Yabana<br /> Performance Evaluation of Large Scale Electron Dynamics Simulation under Many-core Cluster based on Knights Landing<br /> ''The 1st International Conference on HPCAsia2018'' (2018)<br /> https://doi.org/10.1145/3149457.3149465
 +
 
 +
=== 2017===
 +
 
 +
*[Nanostructure] [Acetylene/IRMOF-10] [Optical near field] <br /> M. Noda, M. Yamaguchi and K. Nobusada, <br />Second Harmonic Excitation of Acetylene by the Optical Near Field Generated in a Porous Material <br /> ''J. Phys. Chem.'' ''' C 121''', 11687 (2017) <br />  https://doi.org/10.1021/acs.jpcc.7b02744
 +
 
 +
*[Interface] [SiO2–graphene–boron nitride] [Bias Voltage] <br /> K. Iida, M. Noda and K. Nobusada,  <br /> Development of Theoretical Approach for Describing Electronic Properties of Hetero-Interface Systems under Applied Bias Voltage <br /> '' J. Chem. Phys.'' ''' 146''', 084706 (2017) <br /> https://doi.org/10.1063/1.4976970
  
 
=== 2016 ===
 
=== 2016 ===
−
* [Solid][Diamond][Attosecond] <br /> M. Lucchini, S.A. Sato, A. Ludwig, J. Herrmann, M. Volkov, L. Kasmi, Y. Shinohara, K. Yabana, L. Gallmann, U. Keller<br /> Attosecond dynamical Franz-Keldysh effect in polycrystalline diamond <br /> ''Science'' '''353''', 916-919 (2016). <br /> DOI: 10.1126/science.aag1268
+
* [Solid][Diamond][Attosecond] <br /> M. Lucchini, S.A. Sato, A. Ludwig, J. Herrmann, M. Volkov, L. Kasmi, Y. Shinohara, K. Yabana, L. Gallmann, U. Keller<br /> Attosecond dynamical Franz-Keldysh effect in polycrystalline diamond <br /> ''Science'' '''353''', 916-919 (2016). <br /> https://doi.org/10.1126/science.aag1268
  
−
* [Solid][SiO2][Attosecond] <br />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<br /> Attosecond nonlinear polarization and light-matter energy transfer in solids<br /> ''Nature'' '''534''', 86-90 (2016).<br /> DOI:10.1038/nature17650
+
* [Solid][SiO2][Attosecond] <br />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<br /> Attosecond nonlinear polarization and light-matter energy transfer in solids<br /> ''Nature'' '''534''', 86-90 (2016).<br /> https://doi.org/10.1038/nature17650
 +
 
 +
*[Molecule] [Para-Dinitrobenzene, Paranitroaniline] [Optical Near Field] <br /> M. Yamaguchi and K. Nobusada,  <br /> Large Hyperpolarizabilities of the Second Harmonic Generation Induced by Nonuniform Optical Near Fields <br />  ''J. Phys. Chem.'' ''' C 120''', 23748 (2016) <br /> https://doi.org/10.1021/acs.jpcc.6b08507
 +
 
 +
*[Interface] [Silicene–amine] [Electric Field Bias]<br /> K. Iida and K. Nobusada<br />  Electric field effects on the electronic properties of the silicene-amine interface<br />  ''Phys. Chem. Chem. Phys.'' ''' 18''', 15639 (2016) <br /> https://doi.org/10.1039/c6cp02157c
 +
 
 +
*[Cluster] [Au133(SPhtBu)52] [Linear Response]<br />K. Iida, M. Noda and K. Nobusada<br /> Interface Electronic Properties Between a Gold Core and Thiolate Ligands: Effects on an Optical Absorption Spectrum in Au133(SPh-tBu)52<br />''J. Phys. Chem.''  '''C 120''', 2753 (2016)<br />https://doi.org/10.1021/acs.jpcc.5b10846
 +
 
 +
*[HPC] [Performance Evaluation]<br />Y. Hirokawa, T. Boku, S. A. Sato, and K. Yabana<br /> Electron Dynamics Simulation with Time-Dependent Density Functional Theory on Large Scale Symmetric Mode Xeon Phi Cluster<br /> ''The 17th IEEE International Workshop on PDSEC2016'', (2016)<br />https://doi.org/10.1109/IPDPSW.2016.200
  
 
=== 2015 ===
 
=== 2015 ===
−
* [Solid][Diamond][Nonlinear Optics] <br /> T. Otobe, Y. Shinohara, S.A. Sato, K. Yabana<br /> Femtosecond time-resolved dynamical Franz-Keldysh effect<br /> ''Phys. Rev.'' '''B93''', 045124 (2016). <br />  arXiv:1504.01458 <br />  DOI: 10.1103/PhysRevB.93.045124
+
* [Solid][Diamond][Nonlinear Optics] <br /> T. Otobe, Y. Shinohara, S.A. Sato, K. Yabana<br /> Femtosecond time-resolved dynamical Franz-Keldysh effect<br /> ''Phys. Rev.'' '''B93''', 045124 (2016). <br />  arXiv:1504.01458 <br />  https://doi.org/10.1103/PhysRevB.93.045124
  
−
* [Solid][SiO2][Optical Current] <br /> G. Wachter, S.A. Sato, C. Lemell, X.M. Tong, K. Yabana, J. Burgdoerfer<br /> Controlling ultrafast currents by the non-linear photogalvanic effect<br /> ''New J. Phys. '' '''17''', 123026 (2015). <br />  arXiv:1503.06146 <br /> DOI: 10.1088/1367-2630/17/12/123026
+
* [Solid][SiO2][Optical Current] <br /> G. Wachter, S.A. Sato, C. Lemell, X.M. Tong, K. Yabana, J. Burgdoerfer<br /> Controlling ultrafast currents by the non-linear photogalvanic effect<br /> ''New J. Phys. '' '''17''', 123026 (2015). <br />  arXiv:1503.06146 <br /> https://doi.org/10.1088/1367-2630/17/12/123026
  
−
*[Molecule][Endohedral Fullerene][Attosecond] <br /> G. Wachter, S. Nagele, S.A. Sato, R. Pazourek, M. Wais, C. Lemell, X.-M. Tong, K. Yabana, J. Burgdoerfer<br /> Protocol for observing molecular dipole excitations by attosecond self-streaking<br /> ''Phys. Rev.'' ''' A92''', 061403(R)<br />  arXiv:1505.05857 )<br /> DOI: 10.1103/PhysRevA.92.061403
+
*[Molecule][Endohedral Fullerene][Attosecond] <br /> G. Wachter, S. Nagele, S.A. Sato, R. Pazourek, M. Wais, C. Lemell, X.-M. Tong, K. Yabana, J. Burgdoerfer<br /> Protocol for observing molecular dipole excitations by attosecond self-streaking<br /> ''Phys. Rev.'' ''' A92''', 061403(R)<br />  arXiv:1505.05857 )<br /> https://doi.org/10.1103/PhysRevA.92.061403
  
−
* [Solid][Silicon, Germanium][Linear Response, Nonlinear Optics] <br /> S.A. Sato, Y. Taniguchi, Y. Shinohara, K. Yabana<br /> Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory<br /> ''  J. Chem. Phys. '' '''143''', 224116 (2015)<br />  arXiv:1507.05156 <br /> DOI: 10.1063/1.4937379
+
* [Solid][Silicon, Germanium][Linear Response, Nonlinear Optics] <br /> S.A. Sato, Y. Taniguchi, Y. Shinohara, K. Yabana<br /> Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory<br /> ''  J. Chem. Phys. '' '''143''', 224116 (2015)<br />  arXiv:1507.05156 <br /> https://doi.org/10.1063/1.4937379
  
−
*[Solid][SiO2][Laser Damage] <br /> S.A. Sato, K. Yabana, Y. Shinohara, T. Otobe, K.M. Lee, G.F. Bertsch<br /> Time-dependent density functional theory of high-intensity, short-pulse laser irradiation on insulators<br /> ''Phys. Rev.'' ''' B92''' 205413 (6 pages) (2015).<br /> arXiv: 1412.1445<br /> DOI: 10.1103/PhysRevB.92.205413
+
*[Solid][SiO2][Laser Damage] <br /> S.A. Sato, K. Yabana, Y. Shinohara, T. Otobe, K.M. Lee, G.F. Bertsch<br /> Time-dependent density functional theory of high-intensity, short-pulse laser irradiation on insulators<br /> ''Phys. Rev.'' ''' B92''' 205413 (6 pages) (2015).<br /> arXiv: 1412.1445<br /> https://doi.org/10.1103/PhysRevB.92.205413
  
 +
*[Interface] [Ag Cluster/Dielectric Surface] [Electronic Structure, Linear Response] <br /> K. Iida, M. Noda and K. Nobusada <br /> Control of Optical Response of a Supported Cluster on Different Dielectric Substrates <br /> '' J. Chem. Phys.'' ''' 142''' 214702 (2015) <br />  https://doi.org/10.1063/1.4921840
  
 
=== 2014 ===
 
=== 2014 ===
  
−
*[Solid][Silicon][Attosecond] <br /> 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<br /> Attosecond band-gap dynamics in silicon<br /> ''Science'' '''346'''(6215), 1348-1352 (2014).<br /> DOI: 10.1126/science.1260311
+
*[Solid][Silicon][Attosecond] <br /> 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<br /> Attosecond band-gap dynamics in silicon<br /> ''Science'' '''346'''(6215), 1348-1352 (2014).<br /> https://doi.org/10.1126/science.1260311
 +
 
 +
*[Solid][Silicon][Nonlinear Optics] <br />S.A. Sato, Y. Shinohara, T. Otobe, K. Yabana<br />  Dielectric response of laser-excited silicon at finite electron temperature<br />  ''Phys. Rev.'' '''B.90'''(17), 174303 (8 pages) (2014). <br />  https://doi.org/10.1103/PhysRevB.90.174303
  
−
*[Solid][Silicon][Nonlinear Optics] <br />S.A. Sato, Y. Shinohara, T. Otobe, K. Yabana<br /> Dielectric response of laser-excited silicon at finite electron temperature<br />  ''Phys. Rev.'' '''B.90'''(17), 174303 (8 pages) (2014). <br /> DOI: 10.1103/PhysRevB.90.174303
+
*[Algorithm] <br />S.A. Sato, K. Yabana <br /> Maxwell+TDDFT multi-scale simulation for laser-matter interactions<br />  ''J. Adv. Simulat. Sci. Eng.'' ''' 1(1)''', 98-110 (2014). <br /> https://doi.org/10.15748/jasse.1.98
  
−
*[Algorithm] <br />S.A. Sato, K. Yabana <br /> Maxwell+TDDFT multi-scale simulation for laser-matter interactions<br />   ''J. Adv. Simulat. Sci. Eng.'' ''' 1(1)''', 98-110 (2014). <br /> DOI: 10.15748/jasse.1.98
+
*[Solid][SiO2][Optical Current] <br />G. Wachter, C. Lemell, J. Burgdoerfer, S.A. Sato, X.-M. Tong, K. Yabana <br />Ab Initio Simulation of Electrical Currents Induced by Ultrafast Laser Excitation of Dielectric Materials <br /> ''Phys. Rev. Lett.'' ''' 113(8)''', 087401 (5 pages) (2014). <br />arXiv:1401.4357<br /> https://doi.org/10.1103/PhysRevLett.113.087401
  
−
*[Solid][SiO2][Optical Current] <br />G. Wachter, C. Lemell, J. Burgdoerfer, S.A. Sato, X.-M. Tong, K. Yabana <br />Ab Initio Simulation of Electrical Currents Induced by Ultrafast Laser Excitation of Dielectric Materials <br /> ''Phys. Rev. Lett.'' ''' 113(8)''', 087401 (5 pages) (2014). <br />arXiv:1401.4357<br /> DOI: 10.1103/PhysRevLett.113.087401
+
*[Solid][SiO2][Nonlinear Optics] <br />S.A. Sato, K. Yabana <br />Efficient basis expansion for describing linear and nonlinear electron dynamics in crystalline solids <br />''Phys. Rev. B'' ''' 89(22)''', 224305 (11 pages) (2014). <br /> https://doi.org/10.1103/PhysRevB.89.224305
  
−
*[Solid][SiO2][Nonlinear Optics] <br />S.A. Sato, K. Yabana  <br />Efficient basis expansion for describing linear and nonlinear electron dynamics in crystalline solids <br />''Phys. Rev. B'' ''' 89(22)''', 224305 (11 pages) (2014). <br />DOI: 10.1103/PhysRevB.89.224305
+
*[Cluster] [Aun (n = 54, 146, 308, 560, 922, 1414)] [Plasmon]<br /> K. Iida, M. Noda, K. Ishimura and K. Nobusada <br />First-Principles Computational Visualization of Localized Surface Plasmon Resonance in Gold Nanoclusters <br /> ''J. Phys. Chem.'' ''' A 118,''' 11317 (2014) <br /> https://doi.org/10.1021/jp5088042
 +
 
 +
*[Interface] [4-mercaptopyridine/Ag Electrode] [Raman]  <br /> K. Iida, M. Noda and K. Nobusada <br /> Theoretical Approach for Optical Response in Electrochemical Systems: Application to Electrode Potential Dependence of Surface-Enhanced-Raman Scattering  <br /> ''J. Chem. Phys.''  '''141,'''  124124 (2014) <br />  https://doi.org/10.1063/1.4896537
 +
 
 +
*[Algorithm] [Nanostructure] [C60 Array]  <br /> M. Noda, K. Ishimura, K. Nobusada, K. Yabana and T. Boku  <br />  Massively-Parallel Electron Dynamics Calculations in Real-time and Real-Space: Toward Applications to Nanostructures of more than Ten-Nanometers in Size  <br />  ''J. Comp. Phys.''  '''265,''' 145 (2014)  <br /> https://doi.org/10.1016/j.jcp.2014.02.006
  
 
=== 2013 ===
 
=== 2013 ===
  
−
*[Solid][Silicon][Nonlinear Optics]<br />S.A. Sato, K. Yabana, Y. Shinohara, T. Otobe, G.F. Bertsch <br /> Numerical pump-probe experiments of laser-excited silicon in nonequilibrium phase<br /> ''Phys. Rev. B'' ''' 89(6)''', 064304 (8 pages) (2014).<br />arXiv:1303.3249<br />DOI: 10.1103/PhysRevB.89.064304
+
*[Solid][Silicon][Nonlinear Optics]<br />S.A. Sato, K. Yabana, Y. Shinohara, T. Otobe, G.F. Bertsch <br /> Numerical pump-probe experiments of laser-excited silicon in nonequilibrium phase<br /> ''Phys. Rev. B'' ''' 89(6)''', 064304 (8 pages) (2014).<br />arXiv:1303.3249<br /> https://doi.org/10.1103/PhysRevB.89.064304
  
−
*[Solid][SiO2][Laser Damage] <br /> K.-M. Lee, C.M. Kim, S.A. Sato, T. Otobe, Y. Shinohara, K. Yabana, T.M. Jeong <br /> First-principles simulation of the optical response of bulk and thin-film α-quartz irradiated with an ultrashort intense laser pulse <br />  ''J. Appl. Phys.'' ''' 115(5)''', 053519 (8 pages) (2014).  <br /> DOI: 10.1063/1.4864662
+
*[Solid][SiO2][Laser Damage] <br /> K.-M. Lee, C.M. Kim, S.A. Sato, T. Otobe, Y. Shinohara, K. Yabana, T.M. Jeong <br /> First-principles simulation of the optical response of bulk and thin-film α-quartz irradiated with an ultrashort intense laser pulse <br />  ''J. Appl. Phys.'' ''' 115(5)''', 053519 (8 pages) (2014).  <br /> https://doi.org/10.1063/1.4864662
  
 
=== 2012 ===
 
=== 2012 ===
  
−
*[Solid][Sb][Coherent Phonon] <br />  Y. Shinohara, S.A. Sato, K. Yabana, J.-I. Iwata, T. Otobe, G.F. Bertsch  <br /> Nonadiabatic generation of coherent phonons  <br /> ''J. Chem. Phys.''  '''137(22)''', 22A527 (8 pages) (2012). <br /> DOI: 10.1063/1.4739844
+
*[Solid][Sb][Coherent Phonon] <br />  Y. Shinohara, S.A. Sato, K. Yabana, J.-I. Iwata, T. Otobe, G.F. Bertsch  <br /> Nonadiabatic generation of coherent phonons  <br /> ''J. Chem. Phys.''  '''137(22)''', 22A527 (8 pages) (2012). <br />   https://doi.org/10.1063/1.4739844
 +
 
 +
*[Molecule] [Pyrazine/Na4] [Raman] <br />  M. Noda, T. Yasuike, K. Nobusada and M. Hayashi <br />  Enhanced Raman spectrum of pyrazine with the aid of resonant electron dynamics in a nearby cluster <br />  '' Chem. Phys. Lett. '' '''550,''' 52 (2012) <br />  https://doi.org/10.1016/j.cplett.2012.08.059
  
 
=== 2011 ===
 
=== 2011 ===
  
−
*[Solid][Silicon][Nonlinear Optics] <br />  K. Yabana, T. Sugiyama, Y. Shinohara, T. Otobe, G.F. Bertsch <br />  Time-dependent density functional theory for strong electromagnetic fields in crystalline solids <br />  ''Phys. Rev.'' '''B85(4)''', 045134 (11 pages) (2012).<br /> DOI: 10.1103/PhysRevB.85.045134
+
*[Solid][Silicon][Nonlinear Optics] <br />  K. Yabana, T. Sugiyama, Y. Shinohara, T. Otobe, G.F. Bertsch <br />  Time-dependent density functional theory for strong electromagnetic fields in crystalline solids <br />  ''Phys. Rev.'' '''B85(4)''', 045134 (11 pages) (2012).<br /> https://doi.org/10.1103/PhysRevB.85.045134
 +
 
 +
*[Molecule][Inorganic][MCD] <br />  K.-M. Lee, K. Yabana, G.F. Bertsch  <br />  Magnetic circular dichroism in real-time time-dependent density functional theory <br />  '' J. Chem. Phys. '' '''134(14),''' 144106 (9 pages) (2011). <br />  https://doi.org/10.1063/1.3575587
 +
 
 +
*[Surface] [Cs/Cu(111)] [Linear Response] <br />  T. Yasuike and K. Nobusada <br />  Open-boundary cluster model implemented in first-principles calculations for electronic excited states of an adsorbate-surface system <br />  ''Phys. Rev.''  '''B 84, ''' 245408 (2011)  <br />  https://doi.org/10.1103/PhysRevB.84.245408
 +
 
 +
=== 2010 ===
 +
 
 +
*[Molecule] [C60] [Optical Near Field] <br />  T. Iwasa and K. Nobusada <br />  Near-field-induced optical force on a metal particle and C60: Real-time and real-space electron dynamics simulation <br /> '' Phys. Rev.'' '''A 82''', 043411 (2010)  <br />  https://doi.org/10.1103/PhysRevA.82.043411
 +
 
 +
=== 2009 ===
 +
 
 +
*[Molecule] [NC6N] [Optical Near Field] <br / > T. Iwasa and K. Nobusada <br / >Nonuniform light-matter interaction theory for near-field-induced electron dynamics <br / > '' Phys. Rev''. ''' A 80''' 043409 (2009) <br / >  https://doi.org/10.1103/PhysRevA.80.043409
  
−
*[Molecule][Inorganic][MCD] <br />  K.-M. Lee, K. Yabana, G.F. Bertsch  <br />  Magnetic circular dichroism in real-time time-dependent density functional theory <br />  ''J. Chem. Phys.''  '''134(14)''',144106 (9 pages) (2011).  <br />  DOI: 10.1063/1.3575587
 
  
 +
*[Molecule] [C60] [Linear Response] <br / > Y. Kawashita, K. Yabana, M. Noda, K. Nobusada and T. Nakatsukasa <br / > Oscillator Strength Distribution of C60 in the Time-Dependent Density Functional Theory <br / >  ''J. Mol. Struct.: Theochem''  '''914,''' 130 (2009) <br / > https://doi.org/10.1016/j.theochem.2009.04.022
  
 +
=== 2007===
  
 +
*[Molecule] [Na10, Benzene] [Photocurrent] <br / > K. Nobusada and K. Yabana <br / > Photoinduced electric currents in ring-shaped molecules by circularly polarized laser pulses <br / > ''Phys. Rev.''  '''A 75,''' 032518 (2007)  <br / >  https://doi.org/10.1103/PhysRevA.75.032518
  
 +
=== 2005===
  
 +
*[Cluster] [Ag2] [Nonlinear Optics]  <br / > K. Shiratori, K. Nobusada and K. Yabana <br / > Multiple ionization of a silver diatomic molecule in an intense laser field <br / > ''Chem. Phys. Lett.'' '''404,''' 365 (2005)  <br / >  https://doi.org/10.1016/j.cplett.2005.01.124
  
 +
=== 2004===
  
−
paper3
+
*[Cluster] [Ag2, Ag8] [Nonlinear Optics] <br / > K. Nobusada and K. Yabana, <br / > High-order harmonic generation from silver clusters: Laser-frequency dependence and the screening effect of d electrons <br / >  ''Phys. Rev. '' '''A 70''', 043411 (2004)  <br / >  https://doi.org/10.1103/PhysRevA.70.043411

Latest revision as of 04:03, 8 April 2018

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.

2018

  • [Solid] [Linear Response, Nonlinear Optics]
    C. D. Pemmaraju, F. D. Vila, J. J. Kas, S. A. Sato, J. Rehr, K. Yabana, and David Prendergast
    Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set
    Comp. Phys. Comm. 226, 30 (2018)
    https://doi.org/10.1016/j.cpc.2018.01.013
  • [HPC] [Performance Evaluation]
    Y. Hirokawa, T. Boku, S. A. Sato, and K. Yabana
    Performance Evaluation of Large Scale Electron Dynamics Simulation under Many-core Cluster based on Knights Landing
    The 1st International Conference on HPCAsia2018 (2018)
    https://doi.org/10.1145/3149457.3149465

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
  • [HPC] [Performance Evaluation]
    Y. Hirokawa, T. Boku, S. A. Sato, and K. Yabana
    Electron Dynamics Simulation with Time-Dependent Density Functional Theory on Large Scale Symmetric Mode Xeon Phi Cluster
    The 17th IEEE International Workshop on PDSEC2016, (2016)
    https://doi.org/10.1109/IPDPSW.2016.200

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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