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Poul Jørgensen

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]
OriginalsprogEngelsk
TidsskriftJournal of Chemical Physics
Vol/bind140
Sider (fra-til)174114
Antal sider8
ISSN0021-9606
DOI
StatusUdgivet - 2014

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