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Structure and energetics of Ni clusters with up to 150 atoms
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Structure and energetics of Ni clusters with up to 150 atoms
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Paper
Structure and energetics of Ni clusters with up to 150 atoms
2003
Overview
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.
Publisher
Cornell University Library, arXiv.org
Subject
