Peter E. Blöchl, Enrico Smargiassi, et al.
Physical Review Letters
Paper
Computer simulations of small semiconductor and metal clusters
Abstract
A brief survey is presented of recent simulations of small clusters, made with both ab-initio and classical approaches, with particular emphasis on the application of the Car-Parrinello method. The discussion mainly focusses on the structural properties of a variety of materials and on the effects of temperature. © 1991 Springer-Verlag.
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