BFW: A density functional for transition metal clusters

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

Internet

http://hdl.handle.net/20.500.11937/13417

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