Correcting deficiencies in approximate density functionals
In the last fifty years, approximate density functional theory (DFT) has become firmly established as the de facto standard for electronic structure calculations in chemistry. Although the theory itself is formally exact, approximations must be made for the unknown exchange–correlation (XC) function...
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Durham University
2015
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.685633 |