Additional global internal contraction in variations of multireference equation of motion coupled cluster theory.
Demel O, Datta D, Nooijen M.
Demel O, et al. Among authors: nooijen m.
J Chem Phys. 2013 Apr 7;138(13):134108. doi: 10.1063/1.4796523.
J Chem Phys. 2013.
PMID: 23574209
Extensions of multireference equation of motion coupled cluster theory (MR-EOMCC) [D. Datta and M. Nooijen, J. Chem. Phys. 137, 204107 (2012)] are presented that include additional correlation effects into the global, internally contracted similarity transformation, …
Extensions of multireference equation of motion coupled cluster theory (MR-EOMCC) [D. Datta and M. Nooijen, J. Chem. Phys. 137 …