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3. DFT and CCSD(T) electronic properties and structures of aluminum clusters: Al n x (n =1–9, x =0, ±1).

Author

Kiohara, Valéria O., Carvalho, Edson F.V., Paschoal, Carlos W.A., Machado, Francisco B.C., and Roberto-Neto, Orlando

Subjects
*DENSITY functional theory, *ELECTRONIC structure, *MOLECULAR structure, *ALUMINUM, *METAL clusters, *ELECTRON affinity, *IONIZATION energy
Abstract

Highlights: [•] Accurate structures of aluminum clusters: Al n x (n =1–9, x =0, ±1). [•] Electron affinities and ionization potential. [•] DFT and CCSD(T) electronic calculations. [ABSTRACT FROM AUTHOR]

Published
2013
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