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Displaying 11 results.
    • 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
    Ab initio determination of the ground-state properties of Ca2MgSi2O7 akermanite
    Caracas, R. Gonze, Xavier[UCL] (2003) Physical review. B, Condensed matter and materials physics — Vol. 68, no. 18, p. 184102:1-7 (2003)
    • Journal article
    Comment on "Total energy method from many-body formulation"
    Fuchs, M Burke, K Niquet, YM Gonze, Xavier[UCL] (2003) Physical Review Letters — Vol. 90, no. 18, p. 189701 (2003)
    • Journal article
    Exchange-correlation potentials in the adiabatic connection fluctuation-dissipation framework
    Niquet, YM Fuchs, M Gonze, Xavier[UCL] (2003) Physical review. A, Atomic, molecular, and optical physics — Vol. 68, no. 3, p. 032507:1-13 (2003)
    • Journal article
    First-principles calculation of the electronic, dielectric, and dynamical properties of CaF2
    Verstraete, Matthieu J.[UCL] Gonze, Xavier[UCL] (2003) Physical review. B, Condensed matter and materials physics — Vol. 68, no. 19, p. 195123:1-7 (2003)
    • Journal article
    Density-functional study of methanol adsorption on the Al(100) surface
    Zaitsev, AL Detraux, F Pleskachevskii, YM Gonze, Xavier[UCL] (2003) Physics of the Solid State — Vol. 45, no. 12, p. 2218-2224 (2003)
    • Journal article
    Asymptotic behavior of the exchange-correlation potentials from the linear-response Sham-Schluter equation
    Niquet, YM Fuchs, M Gonze, Xavier[UCL] (2003) Journal of Chemical Physics — Vol. 118, no. 21, p. 9504-9518 (2003)
    • Journal article
    Concentration of small ring structures in vitreous silica from a first-principles analysis of the Raman spectrum
    Umari, P Gonze, Xavier[UCL] Pasquarello, A (2003) Physical Review Letters — Vol. 90, no. 2, p. 027401:1-4 (2003)
    • Journal article
    The formation of single and double cationization of organic molecules in SIMS
    Delcorte, Arnaud[UCL] Wojciechowski, I. Gonze, Xavier[UCL] Garrison, B.J. Bertrand, Patrick[UCL] (2003) Applied Surface Science — Vol. 203-204, p. 106-109 (2003)
    • Journal article
    First-principles calculations of K2SeO4 dielectrics
    Caracas, Razvan[UCL] Gonze, Xavier[UCL] (2003) Fundamental physics of ferroelectrics, AIP conference proceedings — Vol. 677, p. 186-195 (2003)
    • Journal article
    Mechanism of metal cationization in organic SIMS
    Wojciechowski, Igor Delcorte, Arnaud[UCL] Gonze, Xavier[UCL] Bertrand, Patrick[UCL] (2003) Applied Surface Science — Vol. 203/204, p. 102-105 (2003)