Towards a Reduced-Scaling Method for Calculating Coupled Cluster Response Properties
One of the central problems limiting the application of accurate {em ab initio} methods to large molecular systems is their high computational costs, i.e., their computing and storage requirements exhibit polynomial scaling with the size of the system. For example, the coupled cluster singles and do...
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Virginia Tech
2018
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| Online Access: | http://hdl.handle.net/10919/83846 |