SAPT with monomers described on the CCSD level is available for small complexes.
In SAPT(CCSD) monomer density matrices and density-density matrix response functions
from expectation-value CCSD theory
are utilized. A high cost of SAPT(CCSD) results from the necessity
of calculation of the CCSD response functions.
Cumulant contributions from two-electron density matrices
are also available.
The calculations can be performed for dimer-centered or monomer-centered-plus basis sets
(the latter for all components but
are usually calculated
from density-fitted response functions in order to reduce the CPU time
, where is the molecular size).
Some input examples can be found in the Molpro testjobs directory
are calculated separately
from other SAPT components).
It is important to note that SAPT(CCSD) and DFT-SAPT from Chapter 37.1
are completely different codes.
Review of SAPT(CCSD):
T. Korona, in Recent Progress in Coupled Cluster Methods, Eds.
P. Cársky, J. Paldus, J. Pittner, Springer-Verlag (2010),
Coupled cluster treatment of intramonomer correlation effects in intermolecular interactions, p. 267
T. Korona, M. Przybytek, B. Jeziorski, Mol. Phys. 104, 2303 (2006)
T. Korona, B. Jeziorski, J. Chem. Phys. 125, 184109 (2006)
T. Korona, B. Jeziorski, J. Chem. Phys. 128, 144107 (2008)
T. Korona, J. Chem. Phys. 128, 224104 (2008)
T. Korona, Phys. Chem. Chem. Phys. 10, 5698 (2008)
T. Korona, Phys. Chem. Chem. Phys. 10, 6509 (2008)
T. Korona, J. Chem. Theory Comput. 5, 2663 (2009)