Modern approaches to the exchange-correlation problem
Kohn-Sham density functional theory (DFT) is the most prevalent electronic structure method in chemistry. Whilst formally exact, in practice it affords reasonable accuracy with reasonable computational cost and is the method of choice when considering molecules of non-trivial size. The key quantity...
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Durham University
2009
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.492910 |