Structure and optic response of the Na9+ and Na55+ clusters

Abstract

We present the ionic geometries of Na9+ and Na55+ clusters obtained in the “cylindrically averaged pseudopotential scheme”. Our structures are tested by calculating photoabsorption spectra and comparing them to the experimentally measured ones. We employ a local pseudopotential that has been constructed to reproduce atomic and bulk properties of sodium. Comparing the results using different pseudopotentials, we find that the position of the dipole resonance is greatly influenced by details of the pseudopotentials, showing that these must be used consistently both in the geometry optimization and the calculation of the optic response.