Browsing Chemistry by Author "Kong, Liguo"
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Internally Contracted Multireference Coupled Cluster Method and Normal-Order-Based Automatic Code Generator
Kong, Liguo (University of Waterloo, 2009-04-30)Single reference coupled cluster theory has been established as the method of choice for calculating electronic properties of small-to-medium size molecules. However, in typical multireference cases, such as bond breaking ...