Externally-Contracted Multireference Configuration Interaction Method Using a DMRG Reference Wave Function.
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DOI: 10.1021/acs.jctc.8b00613
Abstract: The recent development of the density matrix renormalization group (DMRG) method in multireference quantum chemistry makes it practical to evaluate static correlation in a large active space, while dynamic correlation provides a critical correction to… read more here.
Keywords: dmrg reference; multireference; active space; wave function ... See more keywords