Development of more accurate computational methods within linear-scaling density functional theory
Kohn-Sham Density Functional Theory (DFT) provides a method for electronic structure calculations applicable to a wide variety of systems. Traditional implementations of DFT are cubic-scaling which limits the size of the systems that can be studied. However recently developed linear-scaling methods,...
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University of Southampton
2010
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| Online Access: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.539040 |