Morse Clusters: Table of Global Minima

Global minima of M_N for N = 10-160 at RHO >= 3.0. Energies at values of RHO for which the structure is the global minimum are given in bold. RHO_min and RHO_max give the range of Rho for which the structure is the global minimum. E_strain is the strain energy at RHO = 10.0. If a structure is not stable at RHO = 10.0, no value of Estrain is given. All energies are given in units of the pair well depth.

For N <= 80, the global nimima can be found in the Cambirdge Cluster Database (CCD). The labels marked * are new global minima compared to the results listed in the CCD.

Click on a label to access the coordinates file for the structure (in .xyz format).

PG gives the point group, NN gives the number of nearest neighbors, and Motifs give the packing style.

The Motifs: dis -- disordered; I -- icosahedral; PI -- polyicosahedral; T -- tetrahedral; D -- decahedral; F -- face-centered cubic; C -- close-packed. (+) means anti-layers, (") or (#) means the structure is distorted. The number before the motifs means the size of the basic tetrahedron contained in the structure (for details of the motifs, please see ChemPhysChem 2007, 8, 569).

These results are from:

Longjiu Cheng, and Jinlong Yang
Global Minimum Structures of Morse Clusters as a Function of the Range of the Potential: 81 <= N <= 160.
Journal of Physical Chemistry A 2007, 111, 5287-5293.

Yan Feng, Longjiu Cheng, and Haiyan Liu
Putative Global Minimum Structures of Morse Clusters as a Function of the Range of the Potential: 161 <= N <= 240.
(Submitted)