A truncated version of reduced multireference coupled-cluster method with singles and doubles and noniterative triples: application to F2 and Ni(CO)n (n=1, 2, and 4).

@article{Li2006ATV,
  title={A truncated version of reduced multireference coupled-cluster method with singles and doubles and noniterative triples: application to F2 and Ni(CO)n (n=1, 2, and 4).},
  author={Xiangzhu Li and J. Paldus},
  journal={The Journal of chemical physics},
  year={2006},
  volume={125 16},
  pages={164107}
}
A perturbatively truncated version of the reduced multireference coupled-cluster method with singles and doubles and noniterative triples RMR CCSD(T) is described. In the standard RMR CCSD method, the effect of all triples and quadruples that are singles or doubles relative to references spanning a chosen multireference (MR) model space is accounted for via… CONTINUE READING