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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 BeN+ atoms 1 and 2

For BeN+ (Beryllium mononitride 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 0.0001 0.0001 0.0002 -0.1022 0.0021 0.0026 -0.1012 0.0019 0.0102 0.0012 0.0018 0.0124 0.0081 0.0087 0.0122 0.0085
MP3=FULL         0.0026   0.0027       0.0011 0.0024 0.0137        
MP4=FULL   0.0000     0.0029       0.0021     0.0019 0.0144   0.0094 0.0140  
B2PLYP=FULL -0.0000 -0.0200 0.0000 0.0000 -0.0174 0.0000 -0.0159 0.0006 0.0006 0.0027 0.0004 0.0006 0.0041   0.0027 0.0033  
Quadratic configuration interaction QCISD(T)=FULL         0.0029             0.0019 0.0144   0.0096 0.0139  
Coupled Cluster CCSD=FULL         0.0025         0.0116 0.0013 0.0019 0.0142 0.0077 0.0095 0.0138 0.0083
CCSD(T)=FULL         0.0029           0.0013 0.0019 0.0144 0.0082 0.0096 0.0139 0.0086
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

benq1.gif