Computing optical properties of large systems
In recent years, time-dependent density-functional theory (TDDFT) has been the method of choice for calculating optical excitations in medium sized to large systems, due to its good balance between computational cost and achievable accuracy. In this thesis, TDDFT is reformulated to fit the framework...
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Imperial College London
2015
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.679676 |