A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods.
Van Voorhis, T. and Head-Gordon, M. Benchmark variational coupled cluster doubles results.
Knowles, P. J., Hampel, C. & Werner, H.-J. Coupled cluster theory for high spin, open shell reference wave functions.
Direct core ionization energies are calculated with a new variational coupled cluster technique.
Swart, M., Sola, M. & Bickelhaupt, F. M. Energy landscapes of nucleophilic substitution reactions: a comparison of density functional theory and coupled cluster methods.
Curtiss, L. A., Raghavachari, K., Redfern, P. C., Baboul, A. G. & Pople, J. A. Gaussian-3 theory using coupled cluster energies.
Indeed, this principle is relied upon directly or indirectly by essentially every method in quantum chemistry, from density functional theory to perturbation theory to coupled cluster.
Results are presented relative to data obtained using the CCSD(T /jun-cc-pVTZ//M06-2X/6-311++G 3df,3pd) coupled clusT /jun-cc-pVTZ//M06-2X/6-311++G 3df,3pd
The total process and the mechanism thereof were verified based on DFT and coupled cluster (CC) calculations.
Application to atomic barium and radium yields converged results for a large number of states not accessible by traditional Fock-space coupled cluster.
