CCSD(T)/CBS interaction energies in charge-transfer complexes
The data set contains 11 items.
CCSD(T)/CBS, frozen core, counterpoise-corrected
RI-MP2 extrapolated from aug-cc-pVTZ and aug-cc-pVQZ
dCCSD(T) in heavy-aug-cc-pVTZ
The benchmark CCSD(T)/CBS interaction energies used are the values recalculated in ref.2
The data set is divided into following groups (by amount of charge transfer):
The data set contains following sets of alternative reference values: