Internally Contracted Multireference Coupled Cluster Method and Normal-Order-Based Automatic Code Generator
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 processes, biradicals, excited states, very high order excitations may be nee...
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| Language: | en |
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2009
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| Online Access: | http://hdl.handle.net/10012/4363 |