pith. sign in

X. Gonze

Identifiers

  • name variant X. Gonze 0.60 · backfill

Papers (28)

  1. The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table cond-mat.mtrl-sci · 2017 · author #6
  2. Automation methodologies and large-scale validation for $GW$, towards high-throughput $GW$ calculations cond-mat.mtrl-sci · 2017 · author #3
  3. First-principles investigation of the structural, dynamical and dielectric properties of kesterite, stannite and PMCA phases of Cu2ZnSnS4 cond-mat.mtrl-sci · 2016 · author #5
  4. Structural, electronic, vibrational and dielectric properties of LaBGeO$_5$ from first principles physics.comp-ph · 2013 · author #6
  5. Verification of first-principles codes: comparison of total energies, phonon frequencies, electron-phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo cond-mat.mtrl-sci · 2013 · author #7
  6. Origin of magnetism and quasiparticles properties in Cr-doped TiO$_2$ cond-mat.str-el · 2013 · author #7
  7. Density-operator theory of orbital magnetic susceptibility in periodic insulators cond-mat.mtrl-sci · 2011 · author #1
  8. Lattice Dynamics and Specific Heat of $\alpha$ - GeTe: a theoretical and experimental study cond-mat.mtrl-sci · 2008 · author #2
  9. Dynamical, dielectric, and elastic properties of GeTe cond-mat.mtrl-sci · 2008 · author #5
  10. Band Offsets at the Si/SiO$_2$ Interface from Many-Body Perturbation Theory cond-mat.mtrl-sci · 2008 · author #3
  11. Effect of the spin-orbit interaction on the thermodynamic properties of crystals: The specific heat of bismuth cond-mat.mtrl-sci · 2007 · author #5
  12. Describing static correlation in bond dissociation by Kohn-Sham density functional theory cond-mat.other · 2004 · author #3
  13. Non-linear optical susceptibilities, Raman efficiencies and electrooptic tensors from first-principles density functional perturbation theory cond-mat.mtrl-sci · 2004 · author #2
  14. Electron localization : band-by-band decomposition, and application to oxides cond-mat.mtrl-sci · 2002 · author #2
  15. Band-by-band decomposition of the Born effective charges cond-mat.mtrl-sci · 2000 · author #2
  16. First-principles study of lattice instabilities in Ba_xSr_(1-x)TiO_3 cond-mat.mtrl-sci · 2000 · author #3
  17. Exchange and Correlation Kernels at the Resonance Frequency -- Implications for Excitation Energies in Density-Functional Theory cond-mat.mtrl-sci · 1999 · author #1
  18. The physics of dynamical atomic charges: the case of ABO3 compounds cond-mat · 1998 · author #3
  19. First-principles computation of the Born effective charges and their band-by-band decomposition cond-mat · 1998 · author #2
  20. Ab initio phonon dispersion curves and interatomic force constants of barium titanate cond-mat.mtrl-sci · 1997 · author #2
  21. The long-wavelength behaviour of the exchange-correlation kernel in the Kohn-Sham theory of periodic systems cond-mat.mtrl-sci · 1997 · author #2
  22. Density Functional Theory of Polar Insulators cond-mat.mtrl-sci · 1996 · author #1
  23. Coulomb interaction and ferroelectric instability of BaTiO3 mtrl-th · 1996 · author #2
  24. Parallelisation of algorithms for ab initio computation of material properties mtrl-th · 1995 · author #4
  25. Ab initio study of the volume dependence of dynamical and thermodynamical properties of silicon mtrl-th · 1995 · author #3
  26. A scaling hypothesis for corrections to total energy and stress in plane- wave based ab initio calculations mtrl-th · 1995 · author #5
  27. Density-Polarization Functional Theory of the response of a periodic insulating solid to an electric field. mtrl-th · 1995 · author #1
  28. Born Effective Charges of Barium Titanate: band by band decomposition and sensitivity to structural features mtrl-th · 1994 · author #2

Mentions

  • 1311.7669 #6 · backfill · confidence 0.70 X. Gonze
  • 1309.0729 #7 · backfill · confidence 0.70 X. Gonze
  • 1302.7179 #7 · backfill · confidence 0.70 X. Gonze
  • 1108.1732 #1 · backfill · confidence 0.70 X. Gonze
  • 0810.4604 #2 · backfill · confidence 0.70 X. Gonze
  • 0805.0491 #5 · backfill · confidence 0.70 X. Gonze
  • 0805.0212 #3 · backfill · confidence 0.70 X. Gonze
  • 0705.2545 #5 · backfill · confidence 0.70 X. Gonze

Frequent Coauthors