Applications of the periodic electrostatic embedded cluster method to solid state actinide chemistry
The work described in this thesis uses density functional theory (DFT) with an embedded cluster method, known as the periodic electrostatic embedded cluster method (PEECM) to study solid state actinide systems. The theoretical background of electronic structure calculations is discussed in the first...
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University College London (University of London)
2017
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| Online Access: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.746773 |