TY - JOUR
KW - paper
AU - Stefan Albrecht
AU - Lucia Reining
AU - G Onida
AU - Rodolfo Del Sole
AB - A method for the inclusion of self-energy and excitonic effects in first-principles calculations of absorption spectra, within the state-of-the-art plane-wave pseudopotential approach, is discussed. Self-energy effects are computed within GW; and the electron-hole interaction is treated solving an effective tyro-particle equation which is derived from the relevant Bethe-Salpeter equation. We review numerical results for three systems: a small sodium cluster, the lithium oxyde insulating crystal, and bulk silicon, the prototype semiconductor. In the case of silicon, we present new results obtained considering additional approximations intended to reduce the computational effort and generally employed in Wannier-Mott exciton calculations, and discuss their reliability.
BT - Il Nuovo Cimento
CY - VIA STALINGRADO 97/2, I-40128 BOLOGNA, ITALY
DA - JUL-AUG
M1 - 7-8
N2 - A method for the inclusion of self-energy and excitonic effects in first-principles calculations of absorption spectra, within the state-of-the-art plane-wave pseudopotential approach, is discussed. Self-energy effects are computed within GW; and the electron-hole interaction is treated solving an effective tyro-particle equation which is derived from the relevant Bethe-Salpeter equation. We review numerical results for three systems: a small sodium cluster, the lithium oxyde insulating crystal, and bulk silicon, the prototype semiconductor. In the case of silicon, we present new results obtained considering additional approximations intended to reduce the computational effort and generally employed in Wannier-Mott exciton calculations, and discuss their reliability.
PB - EDITRICE COMPOSITORI BOLOGNA
PP - VIA STALINGRADO 97/2, I-40128 BOLOGNA, ITALY
PY - 1998
SP - 949
EP - 956
T2 - Il Nuovo Cimento
TI - Computing optical absorption spectra from first principles: Self-energy and electron-hole interaction effects
VL - 20
ER -