Coupled-cluster methods including noniterative corrections for quadruple excitations.

  title={Coupled-cluster methods including noniterative corrections for quadruple excitations.},
  author={Yannick J Bomble and John F. Stanton and Mih{\'a}ly K{\'a}llay and J{\"u}rgen Gauss},
  journal={The Journal of chemical physics},
  volume={123 5},
A new method is presented for treating the effects of quadruple excitations in coupled-cluster theory. In the approach, quadruple excitation contributions are computed from a formula based on a non-Hermitian perturbation theory analogous to that used previously to justify the usual noniterative triples correction used in the coupled cluster singles and doubles method with a perturbative treatment of the triple excitations (CCSD(T)). The method discussed in this paper plays a parallel role in… CONTINUE READING

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