Where Does the Planar-to-Nonplanar Turnover Occur in Small Gold Clusters?

Several levels of theory, including both Gaussian-based and plane wave density functional theory (DFT), second-order perturbation theory (MP2), and coupled cluster methods (CCSD(T)), are employed to study Au and Au clusters. All methods predict that the lowest energy isomer of Au is planar. For Au,...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 127; no. 3; pp. 1049 - 1053
Main Authors:	Olson, Ryan M., Varganov, Sergey, Gordon, Mark S., Metiu, Horia, Chretien, Steeve, Piecuch, Piotr, Kowalski, Karol, Kucharski, Stanislaw A., Musial, Monika
Format:	Article
Published:	American Chemical Society 1/26/2005
Subjects:	Gold Density functionals Perturbation theory Nuclear isomers Nuclides Functional analysis
Online Access:	View this record in EBSCOhost