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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 BeF+ atoms 1 and 2

For BeF+ (Beryllium monofluoride 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) cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVTZ
Moller Plesset perturbation MP2=FULL -0.0001 0.0001 0.0001 0.0002 0.0063 0.0031 0.0034 0.0086 0.0019 0.0079 0.0008 0.0036 0.0056 0.0102
MP3=FULL         -0.0010   -0.0016              
Coupled Cluster CCSD(T)=FULL                         0.0058  
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-pVTZ

befq1.gif