Theoretical determination of electron binding energy spectra of anionic magnesium clusters

Abstract.

A recently developed accurate scheme for converting the single-particle eigenenergies of the density functional theory into electron binding energies is used to compute the spectra of electron binding energies in ${\rm{Mg}}_4^ - ,\;{\rm{Mg}}_{11}^ - ,\;{\rm{Mg}}_{16}^ - ,$ and ${\rm{Mg}}_{18}^ -$. The computations are performed for different isomeric forms of the clusters using both pseudopotential and all-electron treatments. The results are compared with the data derived from electron photodetachment experiments, and the role of the different isomers in the interpretation of these data is examined.