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