Collective resonances of the molecule: effects of electron-density profile

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Abstract
Previously, we discussed a purely classical model for analysing surface plasmons of the molecule. The molecule was described as an abrupt spherical shell containing an effective number of or electrons. This simple model was found to be quite applicable for analysis of electron energy loss spectra (EELS), describing the main features of the experimentally observed collective resonances of electrons. In this study we have extended our earlier classical model using spherically averaged radial charge distributions of constructed using different numbers of valence electrons. These charge distributions have been obtained from a self-consistent local density calculation, based on a molecular-orbital linear combination of atomic orbitals (MO-LCAO) approach. Use of this type of smooth charge distribution introduces, together with causality, a natural broadening of the collective resonances.