The calculation of optical absorption spectra using linear-scaling density-functional theory
The goal of the work presented in this thesis was to develop and implement a method for calculating optical absorption spectra for large electronic systems within a linear-scaling density-functional theory (LS-DFT) formalism. The key feature of this method was the development of a scheme for optimiz...
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Imperial College London
2012
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.544299 |