Development and Application of Coupled Cluster Ground- and Excited-State Models
We give an overview of quantum chemical methods with a particular emphasis on the development of high-accuracy quantum chemical models. The reliability of these methods often hinges on whether enough electron correlation is included in the truncated wave function. As an example, we investigate the...
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| Format: | Others |
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Virginia Tech
2014
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| Online Access: | http://hdl.handle.net/10919/27421 http://scholar.lib.vt.edu/theses/available/etd-04282006-104840/ |