Linear-scaling methods in ab initio quantum-mechanical calculations
The work described in this dissertation concerns the development of new methods for performing computer simulations of real materials from first principles or <I>ab initio </I>i.e. using the fundamental equations of quantum mechanics and only well-controlled approximations. In particular...
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University of Cambridge
1998
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.603888 |