A First Principles Study Of Cu Clusters
Aninda Jiban Bhattacharyya, Abhijit Mookerjee, A. K. Bhattacharyya
Abstract
In this communication we study the equilibrium shapes and energetics of Cu clusters of various sizes upto 20 atoms using the Full-Potential Tight Binding Muffin-tin Orbitals Molecular Dynamics. We compare our results with earlier works by physicists and chemists using different methodologies.
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