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Theory for the change of bond character in divalent-metal clusters

Garcia, Martin E.
Pastor, G. M.
Bennemann, K. H.

To determine the size dependence of the bonding in divalent-metal clusters we use a many-electron Hamiltonian describing the interplay between van der Waals (vdW) and covalent interactions. Using a saddle-point slave-boson method and taking into account the size-dependent screening of charge fluctuations, we obtain for Hg_n a sharp transition from vdW to covalent bonding for increasing n. We show also, by solving the model Hamiltonian exactly, that for divalent metals vdW and covalent bonding coexist already in the dimers.

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@article{urn:nbn:de:hebis:34-2008070222411,
  author    ={Garcia, Martin E. and Pastor, G. M. and Bennemann, K. H.},
  title    ={Theory for the change of bond character in divalent-metal clusters},
  copyright  ={https://rightsstatements.org/page/InC/1.0/},
  language ={en},
  year   ={1991}
}