Lennard-Jones Clusters including zero-point energies

The contribution of zero-point energies to the potential energy of Van der Waals atomic clusters may be large. Sometimes it results in a change of global minimum, which may vary according to the degree of quantum delocalization (de Boer parameter).
More information on the lowest-energy minima that we found can be accessed from the following pages:

Pictures of Global minima
Table of Global minima

Points files for each minimum are accessible from the Tables. The work described on the above pages can be found in the following paper:

F. Calvo, J.P.K. Doye and D.J. Wales, J. Chem. Phys. 114, 7312-7329 (2001)

Quantum partition functions from classical distributions. Application to rare-gas clusters

If you can improve on any of the results given in these pages email us, and we will update the database.

Return to The Cambridge Energy Landscape Database.