Multilevel CC2 and CCSD in Reduced Orbital Spaces: Electronic Excitations in Large Molecular Systems
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DOI: 10.1021/acs.jctc.0c00590
Abstract: We present efficient implementations of the multilevel CC2 (MLCC2) and multilevel CCSD (MLCCSD) models. As the system size increases, MLCC2 and MLCCSD exhibit the scaling of the lower-level coupled cluster model. To treat large systems,… read more here.
Keywords: multilevel; coupled cluster; multilevel cc2; cc2 ccsd ... See more keywords