Modelling of fullerenes on silicon surfaces
An extension to the capabilities of an ab-initio density functional theory package, PLATO, has been undertaken. This concerned the calculation of Slater-Koster integrals and their derivatives, via the recursive methods initially proposed by Podolskiy and Vogl, and developed by Elena and Meister. Thi...
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Loughborough University
2008
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.497226 |