TY - JOUR
T1 - Computing optical absorption spectra from first principles
T2 - Self-energy and electron-hole interaction effects
AU - Albrecht, S.
AU - Reining, L.
AU - Onida, G.
AU - Del Sole, R.
PY - 1998/1/1
Y1 - 1998/1/1
N2 - A method for the inclusion of self-energy and excitonic effects in firstprinciples 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 two-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.
AB - A method for the inclusion of self-energy and excitonic effects in firstprinciples 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 two-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.
U2 - 10.1007/BF03185498
DO - 10.1007/BF03185498
M3 - Article
AN - SCOPUS:0005026891
SN - 0392-6737
VL - 20
SP - 949
EP - 956
JO - Nuovo Cimento della Societa Italiana di Fisica D - Condensed Matter, Atomic, Molecular and Chemical Physics, Biophysics
JF - Nuovo Cimento della Societa Italiana di Fisica D - Condensed Matter, Atomic, Molecular and Chemical Physics, Biophysics
IS - 7
ER -