THEORETICAL INTERPRETATION OF OPTICAL-RESPONSE PROPERTIES OF SIMPLE METAL-CLUSTERS

The ab-initio configuration interaction study of excited states of small alkali metal clusters accounts fully for the spectroscopic patterns recorded by depletion or/and femtosecond spectroscopy and permits geometrical assignment. Specific structural and electronic properties responsible for excitations in small Ia/IIa clusters allow for the interpretation of theoretical and "perimental findings in the framework of a molecular many-electron description. Similarities and differences between optical response properties of Li(n) and Na(n) clusters are discussed. The influence of the position of a divalent heteroatom in the geometrical structures of NaxMg clusters on spectroscopical patterns will be presented. The rehability of simplified methods such as random phase approximation (RPA) and multiconfigurational linear response method (MCLR) for optically allowed transitions in metal clusters has been examined.