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24.1 Coupled-cluster, CCSD

The command CCSD performs a closed-shell coupled-cluster calculation. Using the CCSD(T) command, the perturbative contributions of connected triple excitations are also computed. For further information on triples corrections see under RCCSD.



P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002