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Jeppe Olsen

Equation-of-motion coupled cluster perturbation theory revisited

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The equation-of-motion coupled cluster (EOM-CC) framework has been used for deriving a novel series of perturbative corrections to the coupled cluster singles and doubles energy that formally con- verges towards the full configuration interaction energy limit. The series is based on a Møller-Plesset partitioning of the Hamiltonian and thus size extensive at any order in the perturbation, thereby rem- edying the major deficiency inherent to previous perturbation series based on the EOM-CC ansatz. © 2014 AIP Publishing LLC. [http://dx.doi.org/10.1063/1.4873138]
Original languageEnglish
JournalJournal of Chemical Physics
Volume140
Pages (from-to)174114
Number of pages8
ISSN0021-9606
DOIs
Publication statusPublished - 2014

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