Exploring the Ruthenium-Ligands Bond and Their Relative Properties at Different Computational Methods

Table 10

The correlation within the different methods used in computing the first hyperpolarizabilities.

	MP2/aug-cc-pVTZ	MP2/DGDZVP	MP2/SBKJC VDZ	CCSD/DGDZVP	CCSD/SBKJC VDZ	PBE/DGDZVP	PBE/SBKJC VDZ	B3LYP/DGDZVP	B3LYP/SBKJC VDZ
MP2-acc
MP2-dv
MP2-ecp
CCSD-dv
CCSD-ECP
PBE-dv
PBE-ECP
B3LYP-dv
B3LYP-ECP