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Bond Length differences between FULL (all electrons correlated) and FROZEN core

Such as MP2=Frozen and MP2=Full
17 10 27 16 27

For NaLi atoms 1 and 2

For NaLi (lithium sodium)
Bond length differences (full - frozen) in Å. Mouse over a difference for the bond length with full correlation.
Methods with standard basis sets
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ Sadlej_pVTZ
Moller Plesset perturbation MP2=FULL 0.0239 0.0018 0.0065 0.0034 0.0055 0.0103 0.0109 0.0430 0.0286 0.1521 0.0131 0.0128 0.1346 0.0262 0.0935 0.1214 0.0705
MP3=FULL         -0.0116   0.0043                    
Coupled Cluster CCSD(T)=FULL         0.0085           0.0133 0.0550   0.0272 0.0732    
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ Sadlej_pVTZ

linaq1.gif