Coulomb Explosion of Multi-charged Atomic Alkaline Metal Clusters.

In the present work, a computational study of the Coulomb explosions of atomic metal clusters of the type X was carried out, X = (Li-Cs). The work was done within the Kohn-Sham methodology using the Born-Oppenheimer molecular dynamics approximation. The dominant fission channels were established and the electron bonding patterns were analyzed with the help of the Electron Localization Function (ELF).

Ferromagnetic bond of Li10 cluster: An alternative approach in terms of effective ferromagnetic sites.

In this work, a model to explain the unusual stability of atomic lithium clusters in their highest spin multiplicity is presented and used to describe the ferromagnetic bonding of high-spin Li10 and Li8 clusters. The model associates the (lack of-)fitness of Heisenberg Hamiltonian with the degree of (de-)localization of the valence electrons in the cluster. It is shown that a regular Heisenberg Hamiltonian with four coupling constants cannot fully explain the energy of the different spin states.