Renormalized coupled cluster approach

METHOD OF MOMENTS OF COUPLED-CLUSTER EQUATIONS AND RENORMALIZED COUPLED-CLUSTER APPROACHES... [Pg.69]

Keywords Coupled-cluster theory Local correlation methods Cluster-inmolecule formalism Linear scaling algorithms Single-reference coupled-cluster methods CCSD approach CCSD(T) approach Completely renormalized coupled-cluster approaches CR-CC(2,3) approach Large molecular systems Bond breaking Normal alkanes Water clusters... [Pg.131]

New noniterative coupled-cluster methods for bond breaking the method of moments of coupled-cluster equations and its quadratic variant and the renormalized and completely renormalized coupled-cluster approaches... [Pg.126]

Piecuch, P., Kucharski, S. A., Kowalski, K., 8c Musiat, M. (2002). Efficient computer implementation of the renormalized coupled-cluster methods The R-CCSD[T], R-CCSD(T), CR-CCSD T, and CR-CCSD(T) approaches. Computer Physics Communications, 149, 7196. [Pg.629]

We have overviewed the new approach to the many-electron correlation problem in atoms and molecules, termed the method of moments of coupled-cluster equations (MMCC). The main idea of the MMCC theory is that of the noniterative energy corrections which, when added to the ground- and excited-state energies obtained in approximate CC calculations, recover the exeict energies. We have demonstrated that the MMCC formalism leads to a number of useful approximations, including the renormalized and completely renormalized CCSD(T), CCSD(TQ), and CCSDT(Q) methods for... [Pg.59]