Basis set convergence of post-CCSD contributions to molecular atomization energies.
Karton A, Taylor PR, Martin JM.
Karton A, et al.
J Chem Phys. 2007 Aug 14;127(6):064104. doi: 10.1063/1.2755751.
J Chem Phys. 2007.
PMID: 17705585
In cases where fully iterative coupled cluster up to connected quintuples (CCSDTQ5) calculations are not an option, CCSDTQ(5) (i.e., coupled cluster up to connected quadruples plus a quasiperturbative connected quintuples correction) cannot be relied upon in the presence o …
In cases where fully iterative coupled cluster up to connected quintuples (CCSDTQ5) calculations are not an option, CCSDTQ(5) (i.e., coupled …