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Ab-Initio Molecular Dynamics Simulation of Alkali-Metal Microclusters

  • W. Andreoni
  • P. Ballone
  • R. Car
  • M. Parrinello

Abstract

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.

Keywords

Local Density Approximation Magic Number Solid State Theory6 Abundance Spectrum Experimental Cool Rate 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Plenum Press, New York 1989

Authors and Affiliations

  • W. Andreoni
    • 1
  • P. Ballone
    • 1
  • R. Car
    • 2
  • M. Parrinello
    • 2
  1. 1.Zurich Research LaboratoryI.B.M. Research DivisionRüschlikonSwitzerland
  2. 2.International School for Advanced StudiesTriesteItaly

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