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Extended coupled cluster

Improving the T and Ti Components by the Extended Coupled-Cluster Theory... [Pg.58]

VavaP has put forward a scheme for finding the cluster and derived cluster amplitudes from the extended coupled-cluster method, in which cluster amplitudes... [Pg.307]

Improving the quality of the quasi-degenerate electronic wave functions and the description of bond breaking by the extended coupled-cluster theory... [Pg.167]

THE EXTENDED COUPLED-CLUSTER THEORY OF PIECUCH AND BARTLETT... [Pg.169]

Extended coupled cluster (ECC) theory (76,77) is a powerful existing framework for going beyond the standard coupled cluster energy ansatz, (3) In ECC theory (limited to double excitations, here), the energy is obtained by minimizing the following functional with respect to the bra (A2) and ket (T2) amplitudes ... [Pg.98]

See other pages where Extended coupled cluster is mentioned: [Pg.55]    [Pg.50]    [Pg.16]   


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