Article,

DFT and CCSD(T) electronic properties and structures of aluminum clusters: Al-n(x) (n=1-9

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CHEMICAL PHYSICS LETTERS, (2013)
DOI: 10.1016/j.cplett.2013.03.005

Abstract

We have investigated the ability of PBEO, M05-class, and M06-class of density functional theory (OFT) to describe the geometries, vibrational frequencies, binding energies and electronic properties of aluminum clusters, Al-n(x) (n = 2-9

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