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Displaying 15 results.
    • Journal article
    First-principles study of the electro-optic effect in ferroelectric oxides
    Veithen, M Gonze, Xavier[UCL] Ghosez, P. (2004) Physical Review Letters — Vol. 93, no. 18, p. 187401:1-4 (2004)
    • 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
    A brief introduction to the ABINIT software package
    Gonze, Xavier[UCL] Rignanese, Gian-Marco[UCL] Verstraete, Matthieu J.[UCL] Beuken, Jean-Michel[UCL] Pouillon, Y. Caracas, R. Jollet, F. Torrent, M. Zerah, G. Mikami, M Ghosez, P. Veithen, M Raty, JY Olevano, V. Bruneval, F. Reining, L Godby, R Onida, G. Hamann, DR Allan, DC. (2005) Zeitschrift fuer Kristallographie — Vol. 220, no. 5-6, p. 558-562 (2005)
    • Journal article
    Electron localization: Band-by-band decomposition and application to oxides
    Veithen, M Gonze, Xavier[UCL] Ghosez, P. (2002) Physical review. B, Condensed matter and materials physics — Vol. 66, no. 23, p. 235113:1-10 (2002)
    • Journal article
    First-principles computation of material properties: the ABINIT software project
    Gonze, Xavier[UCL] Beuken, Jean-Michel[UCL] Caracas, R. Detraux, F Fuchs, M Rignanese, Gian-Marco[UCL] Sindic, Luc[UCL] Verstraete, Matthieu J.[UCL] Zerah, G. Jollet, F. Torrent, M. Roy, A Mikami, M Ghosez, P. Raty, JY Allan, DC. (2002) Computational Materials Science — Vol. 25, no. 3, p. 478-492 (2002)
    • Journal article
    Long-range Coulomb interaction in ZrO2
    Detraux, F Ghosez, P. Gonze, Xavier[UCL] (1998) Physical Review Letters — Vol. 81, no. 15, p. 3297-3297 (1998)
    • Journal article
    Dynamical atomic charges: The case of ABO(3) compounds
    Ghosez, P. Michenaud, Jean-Pierre[UCL] Gonze, Xavier[UCL] (1998) Physical review. B, Condensed matter and materials physics — Vol. 58, no. 10, p. 6224-6240 (1998)
    • Journal article
    Long-wavelength behavior of the exchange-correlation kernel in the Kohn-Sham theory of periodic systems
    Ghosez, P. Gonze, Xavier[UCL] Godby, RW. (2004) Physical review. B, Condensed matter and materials physics — Vol. 56, no. 20, p. 12811-12817 (2004)
    • 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)
    • Journal article
    Lattice-dynamics and Dielectric-properties of Incipient Ferroelectric Tio2 Rutile
    Lee, C. Ghosez, P. Gonze, Xavier[UCL] (1994) Physical Review. B, Condensed Matter — Vol. 50, no. 18, p. 13379-13387 (1994)
    • 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
    Density-functional theory of polar insulators
    Gonze, Xavier[UCL] Ghosez, P. Godby, RW. (1997) Physical Review Letters — Vol. 78, no. 2, p. 294-297 (1997)
    • Journal article
    Scaling Hypothesis for Corrections To Total-energy and Stress in Plane-wave-based Ab-initio Calculations
    Rignanese, Gian-Marco[UCL] Ghosez, P. Charlier, Jean-Christophe[UCL] Michenaud, Jean-Pierre[UCL] Gonze, Xavier[UCL] (1995) Physical Review. B, Condensed Matter — Vol. 52, no. 11, p. 8160-8178 (1995)
    • Journal article
    Born Effective Charges of Barium-titanate - Band-by-band Decomposition and Sensitivity To Structural Features
    Ghosez, P. Gonze, Xavier[UCL] Lambin, Philippe[FUNDP] Michenaud, Jean-Pierre[UCL] (1995) Physical Review. B, Condensed Matter — Vol. 51, no. 10, p. 6765-6768 (1995)
    • Journal article
    ABINIT: First-principles approach to material and nanosystem properties
    Gonze, Xavier[UCL] Amadon, B. Anglade, P.-M. Beuken, Jean-Michel[UCL] Bottin, F. Boulanger, Paul[UCL] Bruneval, F. Caliste, D. Caracas, R. Côté, M. Deutsch, T. Genovese, L. Ghosez, P. Giantomassi, Matteo[UCL] Goedecker, S. Hamann D.R. Hermet, P. Jollet, F. Jomard, G. Leroux, Stéphane[UCL] Mancini, M. Mazevet, S. Oliveira, M. J. T.[UCL] Onida, G. Pouillon, Y.[UCL] Rangel, T.[UCL] Rignanese, Gian-Marco[UCL] Sangalli, D. Shaltaf, R.[UCL] Torrent, M. Verstraete, Matthieu J.[UCL] Zerah, G. Zwanziger, J.W. (2009) Computer Physics Communications — Vol. 180, no. 12, p. 2582-2615 (2009)