Theoretical determination of electron binding energy spectra of anionic magnesium clusters

A recently developed accurate scheme for converting the single-particle eigeneriergies of the density functional theory into electron binding energies is used to compute the spectra of electron binding energies in Mg-4(-), Mg-11(-), Mg-16(-), and 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.