86 citations · 223 across the 5 of their papers we have counts for
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Melting behavior of large disordered sodium clusters
Andrés Aguado
The melting-like transition in disordered sodium clusters Na_N, with N=92 and 142 is studied by using a first-principles constant-energy molecular dynamics simulation method. Na_14…
Ab initio calculations of structures and stabilities of (NaI)_nNa+ and (CsI)_nCs+ cluster ions
A. Aguado, A. Ayuela, J. M. Lopez +1
Ab initio calculations using the Perturbed Ion model, with correlation contributions included, are presented for nonstoichiometric (NaI)_nNa+ and (CsI)_nCs+ (n=1-14) cluster ions.…
Structure and Bonding in Small Neutral Alkali-Halide Clusters
A. Aguado, A. Ayuela, J. M. Lopez +1
The structural and bonding properties of small neutral alkali-halide clusters (AX)n, with n less than or equal to 10, A=Li, Na, K, Rb and X=F, Cl, Br, I, are studied using the ab i…
Structural and Electronic Properties of Small Neutral (MgO)n Clusters
E. de la Puente, A. Aguado, A. Ayuela +1
Ab initio Perturbed Ion (PI) calculations are reported for neutral stoichiometric (MgO)n clusters (n<14). An extensive number of isomer structures was identified and studied. For t…
Theoretical Study of Small (NaI)n Clusters
A. Aguado, A. Ayuela, J. M. Lopez +1
A systematic theoretical study of stoichiometric clusters (NaI)n up to n=15 is performed using the ab initio Perturbed-Ion (PI) model. The structures obtained are compared to previ…