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Full implementation and benchmark studies of Mukherjee’s state-specific multireference coupled-cluster ansatz

✍ Scribed by Das, Sanghamitra; Mukherjee, Debashis; Kállay, Mihály

Book ID: 120734957
Publisher: American Institute of Physics
Year: 2010
Tongue: English
Weight: 493 KB
Volume: 132
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.3310288

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## Abstract We have tested the linked version of a iterative (partial) triples correction for the Jeziorski‐Monkhorst ansatz based state‐specific multireference coupled cluster (SS‐MRCC) approach with singles and doubles (SD) excitations [abbreviated as SS‐MRCCSDT‐1a and SS‐MRCCSDT‐1a+d]. The asses