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Displaying 7 results.
    • Journal article
    Band structure of gold from many-body perturbation theory
    Rangel, T. Kecik, D. Trevisanutto, P.E. Rignanese, Gian-Marco[UCL] Van Swygenhoven, H. Olevano, V. (2012) Physical Review B — Vol. 86, no.12, p. 125125 (2012)
    • 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)
    • Journal article
    Recent developments in the ABINIT software package
    Gonze, Xavier[UCL] Jollet, F. Abreu Araujo, Flavio[UCL] Adams, D. Amadon, B. Applencourt, T. Audouze, C. Beuken, Jean-Michel[UCL] Bieder, J. Bokhanchuk, A. Bousquet, E. Bruneval, F. Caliste, D. Côté, M. Dahm, F. Da Pieve, Fabiana[UCL] Delaveau, M. Di Gennaro, M. Dorado, B. Espejo, C. Geneste, G. Genovese, L. Gerossier, A. Giantomassi, Matteo[UCL] Gillet, Yannick[UCL] Hamann, D.R. He, L. Jomard, G. Laflamme Janssen, Jonathan[UCL] Le Roux, Stéphane[UCL] Levitt, A. Lherbier, Aurélien[UCL] Liu, F. Lukačević, I. Martin, A. Martins, C. Oliveira, M.J.T. Poncé, Samuel[UCL] Pouillon, Y. Rangel, T. Rignanese, Gian-Marco[UCL] Romero, A.H. Rousseau, B. Rubel, O. Shukri, A.A. Stankovski, M. Torrent, M. van Setten, Michiel[UCL] Van Troeye, Benoît[UCL] Verstraete, M.J. Waroquiers, David[UCL] Wiktor, J. Xu, B. Zhou, A. Zwanziger, J.W. (2016) Computer Physics Communications — Vol. 205, no. - , p. 106-131 (2016)
    • Journal article
    Many-body correlations and coupling in benzene-dithiol junctions
    Rangel, T.[UCL] Ferretti, A. Olevano, Valério Rignanese, Gian-Marco[UCL] (2017) Physical review. B, Condensed matter and materials physics — Vol. 95, no.11, p. 115137 (21/03/2017)
    • Journal article
    Origin of Magnetism and Quasiparticles Properties in Cr-Doped TiO2
    Da Pieve, Fabiana[UCL] Di Matteo, S. Rangel, T. Giantomassi, Matteo[UCL] Lamoen, D. Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] (2013) Physical Review Letters — Vol. 110, no.13, p. 136402 (2013)
    • Journal article
    Structural and vibrational stability of M and Z phases of silicon and germanium from first principles
    Bautista-Hernández, A. Rangel, T. Romero, A. H. Rignanese, Gian-Marco[UCL] Salazar-Villanueva, M. Chigo-Anota, E. (2013) Journal of Applied Physics — Vol. 113, no. 19, p. 193504 (2013)
    • Journal article
    Band structure tunability in MoS2 under interlayer compression: A DFT and GW study
    Espejo, C.[UCL] Rangel, T. Romero, A. H. Gonze, Xavier[UCL] Rignanese, Gian-Marco[UCL] (2013) Physical Review B — Vol. 87, no.24, p. 245114 (6/17)