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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 BeB atoms 1 and 2

For BeB (Beryllium monoboride)
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 cc-pCVTZ
Moller Plesset perturbation MP2=FULL 0.0005 0.0005 0.0005 0.0005   0.0043 0.0042   0.0030 0.0111 0.0019 0.0032 0.0237 0.0127 0.0038 0.0296 0.0140  
MP3=FULL         0.0038   0.0038       0.0017 0.0028 0.0254          
MP4=FULL   0.0004     0.0038       0.0032     0.0022 0.0251   0.0039 0.0314    
B2PLYP=FULL 0.0002 0.0002 0.0002 0.0002 0.0014 0.0014 0.0014 0.0011 0.0011 0.0037 0.0006 0.0010 0.0084   0.0014 0.0106    
Quadratic configuration interaction QCISD(T)=FULL         0.0046             0.0039 0.0308   0.0050 0.0391    
Coupled Cluster CCSD=FULL         0.0047           0.0024 0.0035 0.0348 0.0176 0.0046 0.0441 0.0199  
CCSD(T)=FULL         0.0047           0.0022 0.0035 0.0311 0.0167 0.0051 0.0394 0.0187 0.0059
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 cc-pCVTZ

beb.gif