We present a method (the Aufbau/Abbau method) for optimizing the structure of a whole series of clusters without making any assumptions on the structure. Subsequently, the method is combined with the embedded-atom method in determining the structure of the two energetically lowest isomers of Ni_N clusters with N up to 150. Finally, various analytical descriptors are introduced that are used in studying the overall shape of the clusters, their structure and stability, and possible growth and dissociation processes.
@article{arxiv.physics/0306027,
title = {Structure and energetics of Ni clusters with up to 150 atoms},
author = {V. G. Grigoryan and M. Springborg},
journal= {arXiv preprint arXiv:physics/0306027},
year = {2009}
}