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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 BeMg atoms 1 and 2

For BeMg (Beryllium Magnesium)
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 0.0077 0.0102 0.0231 0.0051 0.0336 0.0336 0.0804 0.0925 0.0925 0.2889 0.0409 0.0342 0.2980 0.1010 0.1381 0.4139 0.1435
MP3=FULL         0.0257   0.0691       0.0344 0.0626 0.2827        
MP4=FULL   0.0132     0.0238       0.1135     0.0515 0.2861   0.1417 0.3688  
B2PLYP=FULL 0.0023 0.0055 0.0053 0.0064 0.0149 0.0149 0.0151 0.0082 0.0082 0.0709 0.0174 0.0190 0.0670   0.0221 0.0881  
Quadratic configuration interaction QCISD(T)=FULL         0.0374             0.0315 0.4207   0.1473 0.5067  
Coupled Cluster CCSD=FULL         0.0538         0.6539 0.0212 0.0664 0.7208 0.4238 0.0610 1.0187 0.4734
CCSD(T)=FULL         0.0370           0.0295 0.0309 0.4230 0.0651 0.1439 0.5127 0.1170
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

bemg.gif