Ab-Initio Molecular Dynamics Simulation of Alkali-Metal Microclusters
In the rapidly growing field of cluster physics alkali metals have played a key role. Due to their relative simplicity of preparation, alkali-metal clusters have in fact been studied experimentally for a longer time and more extensively than aggregates of other materials1,2,3. In particular, abundance spectra have revealed the existence of a regular sequence of “magic numbers” which can be understood with a simple jellium shell model2. The interrelation between stability and structure and electronic properties has been investigated with model calculations which include the effect of realistic electron-ion interactions4 and also with calculations following the standard methods of quantum chemistry5 and solid state theory6.
KeywordsLocal Density Approximation Magic Number Solid State Theory6 Abundance Spectrum Experimental Cool Rate
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