Found 565 results
“Efficient GW calculations for SnO2, ZnO, and rubrene: The effective-energy technique”, Phys. Rev. B, vol. 85. American Physical Society, p. 085126, 2012.
, “Electronic and magnetic properties of NiS2, NiSSe and NiSe2 by a combination of theoretical methods”, EUROPEAN PHYSICAL JOURNAL B, vol. 85, 2012.
, “Electronic excitations in solar cells from GW approaches”, in Computational Approaches to Energy Materials, R. Catlow, A. Sokol and A. Walsh., Oxford: Wiley-Blackwell, 2012.
, “The ETSF: An e-Infrastructure That Bridges Simulations and Experiments”, Computing in Science & Engineering, vol. 14. 2012.
, “Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene”, PHYSICAL REVIEW B, vol. 86, 2012.
, “Feedback mechanism for the stability of the band gap of CuInSe2”, Phys. Rev. B, vol. 86, 045216. 2012.
, “First Principles Study of Hydrogen Desorption from the NaAlH4 Surface Doped by Ti Clusters”, JOURNAL OF PHYSICAL CHEMISTRY C, vol. 116, pp. 4311-4315, 2012.
, “High-pressure structures of disilane and their superconducting properties”, Phys. Rev. Lett., vol. 108, 117004, 2012.
, “In memoriam of Professor Rodolfo Del Sole”, physica status solidi (b), vol. 249. WILEY-VCH Verlag, pp. 1092–1094, 2012.
, “Large crystal local-field effects in second-harmonic generation of a Si/CaF${}_{2}$ interface: An \textit{ab initio} study”, Phys. Rev. B, vol. 86. American Physical Society, p. 035309, 2012.
, “Low-energy excitations in strongly correlated materials: A theoretical and experimental study of the dynamic structure factor in V2O3”, Phys. Rev. B, vol. 86. American Physical Society, p. 205132, 2012.
, “Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications”, Phys. Rev. B (Rapid Comm.), vol. 86, 121204. 2012.
, “The microscopic description of a macroscopic experiment”, in Fundamentals of Time-Dependent Functional Theory, M.A.L. Marques, N.T. Maitra, F.M.S. Nogueira, E.K.U. Gross, A. Rubio., vol. 837, Berlin Heidelberg: Springer-Verlag, 2012.
, “Novel Structural Motifs in Low Energy Phases of LiAlH4”, Phys. Rev. Lett., vol. 108, 205505. 2012.
, “p-doping in expanded phase of ZnO: An ab initio study”, Phys. Rev. Lett., vol. 108, 115903. 2012.
, “Plasmon dispersion in layered transition-metal dichalcogenides”, PHYSICAL REVIEW B, vol. 86, 2012.
, “Plasmon satellites in valence-band photoemission spectroscopy”, The European Physical Journal B, vol. 85. Springer-Verlag, pp. 1-7, 2012.
, “Progress in the theoretical description of photoemission in small systems : a model study”, vol. Master. ENS Cachan, Cachan, p. 46, 2012.
, “Propriétés optiques non-linéaires des surfaces : théorie et simulations numériques”, vol. Master. Ecole Polytechnique, Palaiseau, p. 55, 2012.
, “Raman activity of sp3 carbon allotropes under pressure: A density functional theory study”, Phys. Rev. B, vol. 85, 155428. 2012.
, “Role of nonlocal exchange in the electronic structure of correlated oxides”, PHYSICAL REVIEW B, vol. 85, 2012.
, “Second-harmonic generation in silicon waveguides strained by silicon nitride”, Nature Materials, vol. 11. p. 148, 2012.
, “Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation”, Phys. Rev. B, vol. 86, 125203. 2012.
, “Ab initio calculation of many-body effects on the second-harmonic generation spectra of hexagonal SiC polytypes”, Phys. Rev. B, vol. 83. American Physical Society, p. 115205, 2011.
, “Band structures of Cu2ZnSnS4 and Cu2ZnSnSe4 from many-body methods”, Appl. Phys. Lett., vol. 98, 241915. 2011.
,