6533b820fe1ef96bd127a58d

RESEARCH PRODUCT

Equation-of-motion coupled cluster perturbation theory revisited

Jürgen GaussJanus J. EriksenJeppe OlsenPoul Jørgensen

subject

PhysicsGeneral Physics and AstronomyPerturbation (astronomy)Equations of motionFull configuration interactionsymbols.namesakeCoupled clusterQuantum mechanicssymbolsStatistical physicsPerturbation theory (quantum mechanics)Physical and Theoretical ChemistryHamiltonian (quantum mechanics)Ansatz

description

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]

yearjournalcountryeditionlanguage
2014-05-07Journal of Chemical Physics
10.1063/1.4873138http://dx.doi.org/10.1063/1.4873138