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Displaying 1 - 25 of 152 results.

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    • Journal article
    Computer simulations of cluster impacts : effect of the atomic masses of the projectile and target
    Restrepo-Gutiérrez, Oscar Antonio[UCL] Gonze, Xavier[UCL] Bertrand, Patrick[UCL] Delcorte, Arnaud[UCL] (2013) Physical Chemistry Chemical Physics — Vol. 15, p. 7621-7627 (25 Feb 2013)
    • Journal article
    Understanding Thermal Quenching of Photoluminescence in Oxynitride Phosphors from First Principles
    Poncé, Samuel Jia, Yongchao[UCL] Giantomassi, Matteo[UCL] Mikami, Masayoshi Gonze, Xavier[UCL] (2016) The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces — Vol. 120, no.7, p. 4040-4047 (2016)
    • Journal article
    Photoelasticity of alpha-quartz from first principles
    Detraux, F Gonze, Xavier[UCL] (2004) Physical review. B, Condensed matter and materials physics — Vol. 63, no. 11, p. 115118:1-7 (2004)
    • Journal article
    Spin–orbit effects in the bismuth atom and dimer: tight-binding and density functional theorycomparison
    Oliveira, M. Gonze, Xavier[UCL] (2013) The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical — Vol. 46, p. 095101 (16 April 2013)
    • Journal article
    Comment on "investigation of the correlation potential from Kohn-Sham perturbation theory".
    Niquet, Yann-Michel[UCL] Fuchs, M Gonze, Xavier[UCL] (2003) Physical review letters — Vol. 90, no. 21, p. 219301; discussion 219302 (2003)
    • Journal article
    Density-polarization Functional Theory of the Response of a Periodic Insulating Solid To An Electric-field
    Gonze, Xavier[UCL] Ghosez, P. Godby, RW. (1995) Physical Review Letters — Vol. 74, no. 20, p. 4035-4038 (1995)
    • Journal article
    First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm.
    Gonze, Xavier[UCL] (1997) Physical Review. B, Condensed Matter — Vol. 55, no. 16, p. 10337-10354 (1997)
    • Journal article
    Sharing electronic structure and crystallographic data with ETSF_IO
    Caliste, D.[UCL] Pouillon, Y.[UCL] Verstraete, Matthieu J.[UCL] Olevano, V. Gonze, Xavier[UCL] (2008) Computer Physics Communications — Vol. 179, no. 10, p. 748-758 (2008)
    • Journal article
    Nonlinear optical susceptibilities, Raman efficiencies, and electro-optic tensors from first-principles density functional perturbation theory
    Veithen, M Gonze, Xavier[UCL] Ghosez, P. (2005) Physical review. B, Condensed matter and materials physics — Vol. 71, no. 12, p. 125107:1-14 (2005)
    • Journal article
    Density-functional Approach To Nonlinear-response Coefficients of Solids
    Gonze, Xavier[UCL] Vigneron, Jean-Pol[FUNDP] (1989) Physical Review. B, Condensed Matter — Vol. 39, no. 18, p. 13120-13128 (1989)
    • Journal article
    Implementation and testing of Lanczos-based algorithms for Random-Phase Approximation eigenproblems
    Gruning, Myrta Marini, Andrea Gonze, Xavier[UCL] (2011) Computational materials science — Vol. 50, no. 7, p. 2148-2156 (2011)
    • Journal article
    First-principle studies of the lattice dynamics of crystals, and related properties
    Gonze, Xavier[UCL] Rignanese, Gian-Marco[UCL] Caracas, R. (2005) Zeitschrift fuer Kristallographie : international journal for structural, physical, and chemical aspects of crystalline materials — Vol. 220, no. 5-6, p. 458-472 (2005)
    • Journal article
    Lattice properties of PbX (X=S, Se, Te): Experimental studies and ab initio calculations including spin-orbit effects
    Romero, A. H. Cardona, M. Kremer, René[UCL] Lauck, R. Siegle, G. Serrano, Jorge[UCL] Gonze, Xavier[UCL] (2008) Physical review. B, Condensed matter and materials physics — Vol. 78, no. 22, p. 224302 : 1-9 (2008)
    • Journal article
    Projector augmented-wave approach to density-functional perturbation theory
    Audouze, Christophe Jollet, Francois Torrent, Marc Gonze, Xavier[UCL] (2006) Physical review. B, Condensed matter and materials physics — Vol. 73, no. 23, p. 235101 : 1-18 (2006)
    • Journal article
    Polarization dependence of the exchange energy
    Gonze, Xavier[UCL] Ghosez, P. Godby, RW. (1997) Physical Review Letters — Vol. 78, no. 10, p. 2029-2029 (1997)

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