The macroscopic dielectric function of crystalline silicon is calculated within density-functional theory, considering exchange and correlation effects beyond the local-density approximation. Reproposing an original idea of Hohenberg and Kohn, we consider a functional based on the exchange and correlation kernel of the homogeneous electron gas, K-xc(HEG). The same kernel is used in:the evaluation of the dielectric matrix, keeping local-held effects into account. The results, compared with those obtained in the local-density approximation, show a limited reduction of the well-known overestimation of the macroscopic dielectric constant. Results obtained for optical and energy loss spectra are also presented. [S0163-1829(99)00344-6]
International audienceTime-dependent density functional theory faces an important problem when it co...
International audienceTime-dependent density functional theory faces an important problem when it co...
International audienceTime-dependent density functional theory faces an important problem when it co...
The macroscopic dielectric function of crystalline silicon is calculated within density-functional t...
We perform a first-principles calculation of the static dielectric constant of Si in the framework o...
We perform a first-principles calculation of the static dielectric constant of Si in the framework o...
We present a detailed investigation of the dynamic structure factor S (Q,\u3c9) as well as of the di...
We obtain an accurate density-functional exchange-correlation potential, Vxc(r), for silicon, from c...
Time-dependent density functional theory faces an important problem when it comes to extended system...
Time-dependent density functional theory faces an important problem when it comes to extended system...
Time-dependent density functional theory faces an important problem when it comes to extended system...
We discuss the effects of a static long-range contribution - alpha /q2 to the exchange-correlation k...
International audienceTime-dependent density functional theory faces an important problem when it co...
Time-dependent density functional theory faces an important problem when it comes to extended system...
International audienceTime-dependent density functional theory faces an important problem when it co...
International audienceTime-dependent density functional theory faces an important problem when it co...
International audienceTime-dependent density functional theory faces an important problem when it co...
International audienceTime-dependent density functional theory faces an important problem when it co...
The macroscopic dielectric function of crystalline silicon is calculated within density-functional t...
We perform a first-principles calculation of the static dielectric constant of Si in the framework o...
We perform a first-principles calculation of the static dielectric constant of Si in the framework o...
We present a detailed investigation of the dynamic structure factor S (Q,\u3c9) as well as of the di...
We obtain an accurate density-functional exchange-correlation potential, Vxc(r), for silicon, from c...
Time-dependent density functional theory faces an important problem when it comes to extended system...
Time-dependent density functional theory faces an important problem when it comes to extended system...
Time-dependent density functional theory faces an important problem when it comes to extended system...
We discuss the effects of a static long-range contribution - alpha /q2 to the exchange-correlation k...
International audienceTime-dependent density functional theory faces an important problem when it co...
Time-dependent density functional theory faces an important problem when it comes to extended system...
International audienceTime-dependent density functional theory faces an important problem when it co...
International audienceTime-dependent density functional theory faces an important problem when it co...
International audienceTime-dependent density functional theory faces an important problem when it co...
International audienceTime-dependent density functional theory faces an important problem when it co...