BFW: A density functional for transition metal clusters

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BFW: A density functional for transition metal clusters

Ionization potentials (IPs) or electron affinities (EAs) for transition metal clusters are an important property that can be used to identify and differentiate between clusters. Accurate calculation of these values is therefore vital. Previous attempts using a variety of DFT models have correctly pr...

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Bibliographic Details
Main Authors:	Addicoat, M., Buntine, Mark, Metha, G., Gilbert, A., Gill, P.
Format:	Journal Article
Published:	American Chemical Society 2007
Subjects:	EXCHANGE APPROXIMATION SPECTROSCOPY MOLECULES CHEMISTRY CO NIOBIUM SURFACES PSEUDOPOTENTIALS CORRELATION-ENERGY
Online Access:	http://hdl.handle.net/20.500.11937/13417

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