ACNP - Italian Periodicals Catalogue

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Results: 1-13 |

Results: 13

Ab initio study of incommensurately modulated crystals

Authors: Caracas, R Gonze, X

Citation: R. Caracas et X. Gonze, Ab initio study of incommensurately modulated crystals, COMP MAT SC, 22(1-2), 2001, pp. 112-117

First-principles study of dynamical and dielectric properties of tetragonal zirconia - art. no. 134301

Authors: Rignanese, GM Detraux, F Gonze, X Pasquarello, A

Citation: Gm. Rignanese et al., First-principles study of dynamical and dielectric properties of tetragonal zirconia - art. no. 134301, PHYS REV B, 6413(13), 2001, pp. 4301

Berry-phase treatment of the homogeneous electric field perturbation in insulators - art. no. 155107

Authors: Nunes, RW Gonze, X

Citation: Rw. Nunes et X. Gonze, Berry-phase treatment of the homogeneous electric field perturbation in insulators - art. no. 155107, PHYS REV B, 6315(15), 2001, pp. 5107

Photoelasticity of alpha-quartz from first principles - art. no. 115118

Authors: Detraux, F Gonze, X

Citation: F. Detraux et X. Gonze, Photoelasticity of alpha-quartz from first principles - art. no. 115118, PHYS REV B, 6311(11), 2001, pp. 5118

First-principles study of structural, electronic, dynamical, and dielectric properties of zircon - art. no. 104305

Authors: Rignanese, GM Gonze, X Pasquarello, A

Citation: Gm. Rignanese et al., First-principles study of structural, electronic, dynamical, and dielectric properties of zircon - art. no. 104305, PHYS REV B, 6310(10), 2001, pp. 4305

Ab initio determination of the valence electron distribution in the average structure of the incommensurately modulated calaverite AuTe2

Authors: Caracas, R Gonze, X

Citation: R. Caracas et X. Gonze, Ab initio determination of the valence electron distribution in the average structure of the incommensurately modulated calaverite AuTe2, ACT CRYST B, 57, 2001, pp. 633-637

Mechanism of metal cationization in organic SIMS

Authors: Wojciechowski, I Delcorte, A Gonze, X Bertrand, P

Citation: I. Wojciechowski et al., Mechanism of metal cationization in organic SIMS, CHEM P LETT, 346(1-2), 2001, pp. 1-8

First-principles study of titanium dioxide: Rutile and anatase

Authors: Mikami, M Nakamura, S Kitao, O Arakawa, H Gonze, X

Citation: M. Mikami et al., First-principles study of titanium dioxide: Rutile and anatase, JPN J A P 2, 39(8B), 2000, pp. L847-L850

Calculation of C 1s core-level shifts in poly(ethylene terephthalate) and comparison with x-ray photoelectron spectroscopy

Authors: Travaly, Y Vanderbilt, D Gonze, X

Citation: Y. Travaly et al., Calculation of C 1s core-level shifts in poly(ethylene terephthalate) and comparison with x-ray photoelectron spectroscopy, PHYS REV B, 61(11), 2000, pp. 7716-7721

Band-by-band decompositions of the Born effective charges

Authors: Ghosez, P Gonze, X

Citation: P. Ghosez et X. Gonze, Band-by-band decompositions of the Born effective charges, J PHYS-COND, 12(43), 2000, pp. 9179-9188

First-principles molecular-dynamics study of the (0001) alpha-quartz surface

Authors: Rignanese, GM De Vita, A Charlier, JC Gonze, X Car, R

Citation: Gm. Rignanese et al., First-principles molecular-dynamics study of the (0001) alpha-quartz surface, PHYS REV B, 61(19), 2000, pp. 13250-13255

Exchange and correlation kernels at the resonance frequency: Implications for excitation energies in density-functional theory

Authors: Gonze, X Scheffler, M

Citation: X. Gonze et M. Scheffler, Exchange and correlation kernels at the resonance frequency: Implications for excitation energies in density-functional theory, PHYS REV L, 82(22), 1999, pp. 4416-4419

First-principles characterization of the four phases of barium titanate

Authors: Ghosez, P Gonze, X Michenaud, JP

Citation: P. Ghosez et al., First-principles characterization of the four phases of barium titanate, FERROELECTR, 220(1-2), 1999, pp. 1-15

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