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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 Ne2+ atoms 1 and 2

For Ne2+ (Neon diatomic cation)
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) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ
Moller Plesset perturbation MP2=FULL 0.0000 0.0000 0.0000 0.0001 -0.0022 0.0005 0.0006 -0.0111 0.0005 0.0012 0.0000 0.0003 0.0013 0.0007 0.0007 0.0047 0.0015
MP3=FULL         0.0005   0.0006       0.0000 0.0002 0.0012        
MP4=FULL   0.0000     0.0005       0.0005     0.0002 0.0012   0.0006 0.0048  
B2PLYP=FULL 0.0000 0.0000 0.0000 0.0000 0.0002 0.0002 0.0002 0.0002 0.0002 0.0004 -0.0000 0.0001 0.0004   0.0003 0.0016  
Quadratic configuration interaction QCISD(T)=FULL         0.0005             0.0002 0.0012   0.0007 0.0049  
Coupled Cluster CCSD=FULL         0.0005           0.0001 0.0002 0.0012 0.0007 0.0007 0.0048 0.0015
CCSD(T)=FULL         0.0005           0.0001 0.0002 0.0012 0.0006 0.0007 0.0048 0.0006
STO-3G 3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) TZVP cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ

ne2q1.gif