Development and assessment of density functionals
The first part of the work is an attempt to develop improved exchange-correlation. This is initially approached by separating the exchange-correlation functional into an exchange functional and a correlation functional. The simplest chemical systems, atoms, are used to help develop new functionals....
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University of Cambridge
2001
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.597808 |