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Displaying 7 results.
    • Journal article
    Accurate quantum-mechanical evaluation of the electric polarization of periodic solids using a multi-step method
    Leroux, Stéphane Gonze, Xavier[UCL] (2012) Computational Materials Science — Vol. 63, p. 312-318 (2012)
    • Journal article
    The ETSF : an e-infrastructure to bridge simulation and experiment
    Matsuura, Anne[UCL] Thrupp, Nicola[UCL] Gonze, Xavier[UCL] Pouillon, Y. Bruant, G. Onida, G. (2012) Computing in Science & Engineering : the bimonthly magazine of computational tools and method — Vol. 14, p. 22-32 (2012)
    • Journal article
    Time-dependent density functional theory study of charge transfer in collisions
    Avendano Franco, Guillermo[UCL] Piraux, Bernard[UCL] Grüning, Myrta Gonze, Xavier[UCL] (2012) Theoretical Chemistry Accounts — no. 131, p. 10 (2012)
    • Journal article
    Finite homogeneous electric fields in the augmented plane wave formalism : applications to linear and nonlinear response
    Zwanziger, J.W. Galbraith, J. Kipouros, Y. Torrent, M. Giantomassi, Matteo[UCL] Gonze, Xavier[UCL] (2012) Computational Materials Science — Vol. 58, p. 113-118 (2012)
    • Journal article
    Wannier functions approach to van der Waals interactions in ABINIT
    Espejo, C. Rangel Gordillo, Tonatiuh Pouillon, Y. Romero, A.H. Gonze, Xavier[UCL] (2012) Computer Physics Communications — Vol. 183, p. 480-485 (2012)
    • Journal article
    Effects of plasmon pole models on the G0W0 electronic structure of various oxides
    Miglio, Anna[UCL] Waroquiers, David[UCL] Antonius, G. Giantomassi, Matteo[UCL] Stankovski, Martin[UCL] Côté, M. Gonze, Xavier[UCL] Rignanese, Gian-Marco[UCL] (2012) European Physical Journal B — Vol. 85, no. 9, p. 322 (2012)
    • Speech
    Implementation of Density-Functional Perturbation Theory within ABINIT: Projector Augmented-Waves and Spin-Orbit
    Gonze, Xavier[UCL] Verstraete, Matthieu[UCL] Audouze, C. Torrent, M. Jollet, F. (2012) —