TY - JOUR
KW - paper
AU - G Onida
AU - Lucia Reining
AU - RW Godby
AU - Rodolfo Del Sole
AU - W ANDREONI
AB - We report the first ab initio quasiparticle calculation in a real cluster Na-4 within Hedin\textquoterights GW approximation for the valence electron self-energy. Our approach avoids the summations over empty states, and also eliminates the problem of residual interactions between the periodic images. Self-energy corrections open the local density approximation gap by more than 2 eV; finite-size effects on screening are shown to play an important role. The absorption spectrum calculated by including excitonic effects using our ab initio screened interaction gives a good account of the experimental photodepletion data.
BT - Phys. Rev. Lett.
CY - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
DA - JUL 31
M1 - 5
N2 - We report the first ab initio quasiparticle calculation in a real cluster Na-4 within Hedin\textquoterights GW approximation for the valence electron self-energy. Our approach avoids the summations over empty states, and also eliminates the problem of residual interactions between the periodic images. Self-energy corrections open the local density approximation gap by more than 2 eV; finite-size effects on screening are shown to play an important role. The absorption spectrum calculated by including excitonic effects using our ab initio screened interaction gives a good account of the experimental photodepletion data.
PB - AMERICAN PHYSICAL SOC
PP - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
PY - 1995
SP - 818
EP - 821
T2 - Phys. Rev. Lett.
TI - Ab-initio calculations of the quasi-particule and absorption spectra of clusters: the sodium tetramer
VL - 75
ER -