No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
The full text of this article is not currently available.
Communication: Determining the lowest-energy isomer of Au8
: 2D, or not 2D
3. R. M. Olson, S. Varganov, M. S. Gordon, H. Metiu, S. Chretien, P. Piecuch, K. Kowalski, S. A. Kucharski, and M. Musial, J. Am. Chem. Soc. 127, 1049 (2005).
18. M. S. Gordon and M. W. Schmidt, in Theory and Applications of Computational Chemistry: The First Forty Years, edited by C. E. Dykstra, G. Frenking, K. S. Kim, and G. E. Scuseria (Elsevier, Amsterdam, 2005), pp. 1167–1190.
Article metrics loading...
A parallel numerical derivative code, combined with parallel implementation of the coupled-cluster method with singles, doubles, and non-iterative triples (CCSD(T)), is used to optimize the geometries of the low-energy structures of the Au 8 particle. The effects of geometry relaxation at the CCSD(T) level and the combined effects of the basis set and core-valence correlations are examined and the results are compared with the corresponding second-o