Found 565 results
“Correlation: coupling of excitations”. Workshop « Strong Correlation from First Principles (SC1p) », Kloster Seeon, Germany, 2011.
, “Density Functionals from Many-Body Perturbation Theory: some thoughts”. CECAM workshop on "How to Speed up Progress and Reduce Empiricism in Density Functional Theory", ACAM Dublin, Ireland, 2011.
, “Density-based mixing parameter for hybrid functionals”, Phys. Rev. B, vol. 83. American Physical Society, p. 035119, 2011.
, “Design of effective kernels for spectroscopy and molecular transport: Time-dependent current-density-functional theory”, JOURNAL OF CHEMICAL PHYSICS, vol. 134, 2011.
, “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.
, “Insight and Prediction of Materials Properties from ab initio Calculations of Electronic Excitations ”. Workshop on Dynamics, Properties, and Solidification of Liquid Alloys, German Aerospace Center, Cologne, Germany, 2011.
, “The Loss spectroscopy beamline of the ETSF”. SOLEIL Users' Meeting, Palaiseau, France, 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.
, “Plasmon dispersion in molecular solids: Picene and potassium-doped picene”, Physical Review B, vol. 84, p. 155118, 2011.
, “Satellite structure in electronic spectra”. ES11: The 23rd Annual Workshop on Electronic Structure Methods, University of Pennsylvania, USA, 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 Calculations of the Electronic Properties of CuIn(S,Se)2 and other Materials for Photovoltaic Applications”, Ecole Polytechnique, 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.
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