- Conference date: 25–30 September 2007
- Location: Corfu (Greece)
We have calculated the static dipole polarizabilities of stoichiometric clusters with at HF, B3LYP, B3PW91 and mPW1PW91 levels of theory using basis sets of increasing size. Our results show that AIP clusters behave like the well studied GaAs clusters and their per‐atom polarizabilities decrease rapidly with cluster size. At HF and the DFT levels the per‐atom‐mean polarizability saturates with size after Finally, from the methodological viewpoint, our results show that for those clusters, the different hybrid density functionals we used converge in the computation of the per‐atom‐mean polarizability as the size of the cluster increases.
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