General Principles Governing Structures of Small Clusters

  • J. Koutecký
  • P. Fantucci
Conference paper


General rules which govern electronic and geometric structures of small clusters are formulated, and their validity is documented with the results of the MRD — CI investigations for Li n , BeLi k , Be l (n = 2−14, k = 2−6, l= 2−13) as well as on IIa and IVa tetramers. The MRD — CI results are compared with investigations performed with other methods.


Quantum Chemical Method Lithium Atom Cluster Stability Average Coordination Number Pentagonal Bipyramid 
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Copyright information

© Springer-Verlag Berlin Heidelberg 1986

Authors and Affiliations

  • J. Koutecký
    • 1
  • P. Fantucci
    • 2
  1. 1.Institut für Physikalische und Theoretische ChemieFreie Universität BerlinGermany
  2. 2.Dipartimento di Chimica Inorganica e Metallorganica, Centro CNRUniversità di MilanoMilanoItaly

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