Abstract

AbstractA new formalism closely related to the Method of Moments of Coupled‐Cluster equations (MMCC) is obtained by embedding approximate coupled cluster (CC) or equation‐of‐motion CC (EOMCC) formalism into a formalism which uses cluster or excitation operators defined by excitation operators of higher rank with respect to a given approximation. Noniterative corrections akin to completely renormalized EOM‐CCSD(T) corrections reveal structural similarities to the CCSD(T) corrections for the ground state. Several benchmark calculations on the O3 and Cl2O molecules are discussed to illustrate the performance of this approach. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008

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