TY - JOUR
KW - clusters
KW - many-body effects
KW - excitons
KW - self-energy
KW - electronic spectra
KW - paper
AU - Lucia Reining
AU - Olivia Pulci
AU - Maurizia Palummo
AU - G Onida
AB - We discuss an approach to calculate electronic excitations in clusters, which starts from the determination of the ground state within density functional theory and the local density approximation, and subsequently yields electronic spectra from Green\textquoterights function theory. These methods, which were originally developed and used in extended systems, are shown to work well also in clusters. We discuss the theory and the computational implementation, and illustrate the performance and the physical mechanisms of this approach for the example clusters Na-4, Na-6, and SiH4. (C) 2000 John Wiley \& Sons, Inc.
BT - Int. J. of Quantum Chemistry
CY - 605 THIRD AVE, NEW YORK, NY 10158-0012 USA
DA - MAY 5
M1 - 6
N2 - We discuss an approach to calculate electronic excitations in clusters, which starts from the determination of the ground state within density functional theory and the local density approximation, and subsequently yields electronic spectra from Green\textquoterights function theory. These methods, which were originally developed and used in extended systems, are shown to work well also in clusters. We discuss the theory and the computational implementation, and illustrate the performance and the physical mechanisms of this approach for the example clusters Na-4, Na-6, and SiH4. (C) 2000 John Wiley \& Sons, Inc.
PB - JOHN WILEY \& SONS INC
PP - 605 THIRD AVE, NEW YORK, NY 10158-0012 USA
PY - 2000
SP - 951
EP - 960
T2 - Int. J. of Quantum Chemistry
TI - First-principles calculations of electronic excitations in clusters
VL - 77
ER -