Found 227 results
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“Design of effective kernels for spectroscopy and molecular transport: Time-dependent current–density-functional theory”, The Journal of Chemical Physics, vol. 134. AIP, p. 084102, 2011.
, “Double excitations in correlated systems: A many–body approach”, J. Chem. Phys. , vol. 134, 034115. 2011.
, “Dynamical response function in sodium and aluminum from time-dependent density-functional theory”, Phys. Rev. B, vol. 84. American Physical Society, p. 075109, 2011.
, “Dynamical response function in sodium studied by inelastic x-ray scattering spectroscopy”, Phys. Rev. B, vol. 84. American Physical Society, p. 075108, 2011.
, “Enhancing the superconducting transition temperature of BaSi2 by structural tuning”, Phys. Rev. Lett., vol. 106, 087002. 2011.
, “First-principles study of the band structure and optical absorption of CuGaS2”, Phys. Rev. B, vol. 84, 085145. 2011.
, “Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations”, Phys. Chem. Chem. Phys., vol. 13, 15055. 2011.
, “Second-Harmonic Generation Spectroscopy from Time-dependent Density-Functional Theory”, MRS Spring Meeting Proceedings, vol. 1370. 2011.
, “Second-order response Bethe-Salpeter equation”, Phys. Rev. A, vol. 83. American Physical Society, p. 062122, 2011.
, “Superconductivity in Layered Binary Silicides: A density functional theory study”, Phys. Rev. B, vol. 84, 184503. 2011.
, “Time-resolved photoelectron spectroscopy using synchrotron radiation time structure”, Journal of Synchrotron Radiation, vol. 18. pp. 245–250, 2011.
, “Valence Electron Photoemission Spectrum of Semiconductors: Ab Initio Description of Multiple Satellites”, Phys. Rev. Lett., vol. 107. American Physical Society, p. 166401, 2011.
, “Ab initio calculation of second harmonic generation in solids”, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, vol. 247. pp. 1984-1991, 2010.
, “Ab initio calculations of electronic excitations: Collapsing spectral sums”, Phys. Rev. B, vol. 82. American Physical Society, p. 041103(R), 2010.
, “Ab initio second-order nonlinear optics in solids: second harmonic generation spectroscopy from Time-Dependent Functional Theory”, PHYSICAL REVIEW B, vol. 82. 2010.
, “Band structures of delafossite transparent conductive oxides from a self-consistent GW approach”, Phys. Rev. B, vol. 82, 085115. 2010.
, “Communications: Ab initio second-order nonlinear optics in solids”, JOURNAL OF CHEMICAL PHYSICS, vol. 132. 2010.
, “Dynamic structure factor and dielectric function of silicon for finite momentum transfer: Inelastic x-ray scattering experiments and ab initio calculations”, Phys. Rev. B, vol. 81. p. 085104, 2010.
, “The Dynamic Structure Factor of Simple Metals: A Study of the Electronic Correlation in Solids”, EPIOPTICS-10, Proceedings of the 43rd Course of the International School of Solid State Physics, vol. 1. 2010.
, “Effects of Electronic and Lattice Polarization on the Band Structure of Delafossite Transparent Conductive Oxides”, Phys. Rev. Lett., vol. 104, 136401. 2010.
, “Electronic and optical properties of Si and Ge nanocrystals: An ab initio study”, Superlattices and Microstructures, vol. 47. pp. 178 - 181, 2010.
, “Excitonic effects in the optical properties of CdSe nanowires”, Appl. Phys. Lett., vol. 96, 123106. 2010.
, “Giant excitonic exchange splitting in Si nanowires: First-principles calculations”, Phys. Rev. B, vol. 81. American Physical Society, p. 121303, 2010.
, “Nonlinear Optical Properties of Ni(Me6pzS2)MX (M = Ni, Pd, Pt; X = Me2timdt, mnt)”, The Journal of Physical Chemistry A, vol. 114. pp. 5838-5845, 2010.
, “Phase Change Materials and Their Application to Nonvolatile Memories”, Chem. Rev., vol. 110. pp. 240–267, 2010.
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