Quantum embedding for molecular systems : a projection-operator approach
Density functional theory (DFT) is widely used to describe the electronic structure of molecular systems and, thanks to the simplicity of its theoretical framework, it is particularly suitable for the development quantum embedding schemes. In this dissertation a novel embedding scheme, based on the...
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University of Bristol
2015
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.691179 |