title: The effect of ionization on the global minima of small and medium sized silicon and magnesium clusters.
abstract: We re-examine the question of whether the geometrical ground state of neutral and ionized clusters are identical. Using a well defined criterion for being "identical" together, the extensive sampling methods on a potential energy surface calculated by density functional theory, we show that the ground states are in general different. This behavior is to be expected whenever there are metastable configurations which are close in energy to the ground state, but it disagrees with previous studies.
authors: Department of Physics, Universität Basel, Klingelbergstr. 82, 4056 Basel, Switzerland. sandip.de@unibas.ch
authors: Sandip
authors: S
authors: De
authors: S Alireza
authors: SA
authors: Ghasemi
authors: Alexander
authors: A
authors: Willand
authors: Luigi
authors: L
authors: Genovese
authors: Dilip
authors: D
authors: Kanhere
authors: Stefan
authors: S
authors: Goedecker