Ab initio simulations of minerals using localised basis sets
I have applied the recently developed <I>ab initio</I> simulation code, SIESTA, to a variety of studies of mineral systems. The code is designed to be capable of linear scaling, and promises the ability to simulate systems much larger than other <I>ab initio</I> methods. The...
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University of Cambridge
2001
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.598117 |