Pair-Potential Approach to Accurate Dispersion Energies between Group 12 (Zn, Cd, Hg) Clusters

Dispersion interactions between group 12 (Zn, Cd, Hg) metal clusters are studied at the CCSD(T) level with triple-ζ basis sets. We use atomic orientation dependent C 6 dispersion coefficients derived from simple model systems to calculate the intermolecular dispersion energy between larger metal clu...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2014-12, Vol.118 (51), p.12274-12279
Hauptverfasser:	Hatz, Richard, Hänninen, Vesa, Halonen, Lauri
Format:	Artikel
Sprache:	eng
Schlagworte:	Cadmium Clusters Dichroism Dispersions Mathematical models Metal clusters Orientation Physical chemistry
Online-Zugang:	Volltext
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