2.2k citations · 7.6k across the 77 of their papers we have counts for
Showing 1997Show all
3 papers · 1 filter
cond-mat1997★ 89 cited
Excitation energies from density functional perturbation theory
Claudia Filippi, C. J. Umrigar, X. Gonze
We consider two perturbative schemes to calculate excitation energies, each employing the Kohn-Sham Hamiltonian as the unperturbed system. Using accurate exchange-correlation poten…
cond-mat.mtrl-sci1997
Ab initio phonon dispersion curves and interatomic force constants of barium titanate
Ph. Ghosez, X. Gonze, J. -P. Michenaud
The phonon dispersion curves of cubic BaTiO_3 have been computed within a first-principles approach and the results compared to the experimental data. The curves obtained are very…
cond-mat.mtrl-sci1997★ 131 cited
The long-wavelength behaviour of the exchange-correlation kernel in the Kohn-Sham theory of periodic systems
Ph. Ghosez, X. Gonze, R. W. Godby
The polarization-dependence of the exchange-correlation (XC) energy functional of periodic insulators within Kohn-Sham (KS) density-functional theory requires a …