Articles with "multireference coupled" as a keyword



Renormalized Internally Contracted Multireference Coupled Cluster with Perturbative Triples

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Published in 2024 at "Journal of Chemical Theory and Computation"

DOI: 10.1021/acs.jctc.4c00679

Abstract: In this work, we combine the many-body formulation of the internally contracted multireference coupled cluster (ic-MRCC) method with Evangelista’s multireference formulation of the driven similarity renormalization group (DSRG). The DSRG method can be viewed as… read more here.

Keywords: multireference coupled; perturbative triples; coupled cluster; internally contracted ... See more keywords