Ab initio lifetimes in the interatomic Coulombic decay of neon clusters computed with propagators.
Interatomic Coulombic decay (ICD) is a radiationless decay mechanism occurring via electron emission in an inner-valence ionized weakly bound cluster. The ICD has been studied for the neon clusters Nen (n=2,...,5). The decay widths of the neon clusters are calculated using ab initio Green's function method. The non-Dyson version of Green's function is employed. This propagator is analytically continued into the complex energy plane with the aid of a complex absorbing potential, and the decaying states are found as resonance states in this plane.
Vaval
Nayana
N
Theoretische Chemie, Physikalisch Chemiches Institut, Universitaet Heidelberg, Im Neuenheimer Feld 229, D69120 Heidelberg, Germany.
Cederbaum
Lorenz S
LS