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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 MgO atoms 1 and 2

For MgO (magnesium oxide)
Bond length differences (full - frozen) in Å. Mouse over a difference for the bond length with full correlation.
Methods with standard basis sets
3-21G 6-31G* 6-31G** 6-31+G** 6-311G* cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ cc-pCVDZ cc-pCVTZ
Moller Plesset perturbation MP2=FULL -0.0003 -0.0005 0.0009 0.0012 -0.0003 -0.0000 0.0014 0.0041 0.0041 0.0099 0.0002 0.0023
MP3=FULL   0.0212   -0.0004                
Coupled Cluster CCSD(T)=FULL   0.0024         0.0059       0.0028 0.0096
3-21G 6-31G* 6-31G** 6-31+G** 6-311G* cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ cc-pCVDZ cc-pCVTZ

mgoq1.gif