TY - JOUR
KW - paper
AU - Rodolfo Del Sole
AU - G Adragna
AU - Olevano V
AU - Lucia Reining
AB - We define an effective exchange-correlation kernel f(xc)(eff) which allows us to obtain correct absorption and energy loss spectra starting from an electronic structure obtained within some given approximation. We consider, in particular, the Kohn Sham electronic structure calculated in the local-density approximation and that obtained from a quasiparticle calculation. We show that in both cases the main feature able to account for the experimental spectra is a sizable, complex, and frequency- and material-dependent long-range contribution to f(xc)(eff). We write, in terms of this contribution, an expression for the macroscopic dielectric function which is a generalization of the well-known contact-exciton approximation. Accurate absorption (for silicon and diamond) and electron energy loss (for silicon) spectra are obtained.
BT - Phys. Rev. B
CY - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
DA - JAN 15
DO - 10.1103/PhysRevB.67.045207
M1 - 4
N2 - We define an effective exchange-correlation kernel f(xc)(eff) which allows us to obtain correct absorption and energy loss spectra starting from an electronic structure obtained within some given approximation. We consider, in particular, the Kohn Sham electronic structure calculated in the local-density approximation and that obtained from a quasiparticle calculation. We show that in both cases the main feature able to account for the experimental spectra is a sizable, complex, and frequency- and material-dependent long-range contribution to f(xc)(eff). We write, in terms of this contribution, an expression for the macroscopic dielectric function which is a generalization of the well-known contact-exciton approximation. Accurate absorption (for silicon and diamond) and electron energy loss (for silicon) spectra are obtained.
PB - AMERICAN PHYSICAL SOC
PP - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
PY - 2003
T2 - Phys. Rev. B
TI - Long-range behavior and frequency dependence of exchange-correlation kernels in solids
UR - http://dx.doi.org/10.1103/PhysRevB.67.045207
VL - 67
ER -