Coupled cluster method renormalized

M. Wloch, J.R. Gour, K. Kowalski, P. Piecuch, Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules, J. Chem. Phys. 122 (2005) 214107. [Pg.342]

RENORMALIZED COUPLED-CLUSTER METHODS THEORETICAL FOUNDATIONS AND APPLICATION TO THE POTENTIAL FUNCTION OF WATER... [Pg.63]

NUMERICAL RESULTS PROBING THE POTENTIAL ENERGY SURFACE OF THE WATER MOLECULE WITH THE STANDARD AND RENORMALIZED COUPLED-CLUSTER METHODS... [Pg.92]

Linear Scaling Local Correlation Extensions of the Standard and Renormalized Coupled-Cluster Methods... [Pg.131]

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, 8c Wloch, M. (2005).Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian. The Journal of Chemical Physics, 123, 224105/1-10. [Pg.629]

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]