Stability of small copper clusters: Cu3 and Cu4
1983; Elsevier BV; Volume: 97; Issue: 4-5 Linguagem: Inglês
10.1016/0009-2614(83)80510-7
ISSN1873-4448
AutoresG. H. Jeung, Maud Pélissier, I.C. Barthelat,
Tópico(s)Advanced Physical and Chemical Molecular Interactions
ResumoThe ground states of small clusters of copper atoms (Cu2, Cu3 and Cu4) have been studied at the CI level using a small basis set and an effective core potential to describe the copper atom. A near degeneracy of three stable conformations is found for Cu3 in accordance with the experimental result. The rhombus and T-form are stable for Cu4. The binding energy per atom is nearly constant for these clusters.
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