Challenging systems for quantum chemistry : inorganic excited states and intermolecular aggregates
This thesis focuses on challenging systems for computational chemistry: inorganic excited states and intermolecular aggregates. Excited states of inorganic systems can be extremely challenging for conventional methods of quantum chemistry, mostly due to strong correlation, degeneracy and near-degene...
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Heriot-Watt University
2016
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| Online Access: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.716997 |