Abstract
We study the structure and electronic properties of small copper clusters using Equivalent Crystal Theory (ECT) and a parametrised LCAO method. The cluster geometry is optimised using ECT with Monte Carlo techniques. The LCAO method, particularly the parametrisation scheme due to Harrison, is then used to study the electronic properties of the optimised clusters.
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Schedule a callMore From: Modern physics letters. B, Condensed matter physics, statistical physics, applied physics
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