Calculation of electron binding energies of $$\hbox {Na}_{55}^-$$ Na 55 - clusters

Abstract

Within the frame of the one-electron approximation, we calculate the electron binding energies of the \(\hbox {Na}_{55}^-\) cluster which allows for the identification of the icosahedral structure of the cluster through comparison with experimental photoelectron spectroscopy data. The surface of the icosahedral cluster is represented as a slightly deformed spherical surface, and the corresponding splitting of the energy levels caused by this symmetry reduction is calculated. Subsequently, we demonstrate that the calculated energies of photoelectrons agree very well with the experimental values. This gives an unambiguous demonstration of the role of the cluster structure in photoelectron spectra, whereas electronic shell filling effects are less important.