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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 LiH+ atoms 1 and 2

For LiH+ (lithium hydride 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 cc-pCVDZ cc-pCVTZ
Moller Plesset perturbation MP2=FULL -0.0003 0.0010 0.0010 0.0014 0.0000 0.0032 0.0033 0.1034 0.0060 0.0066 0.0028 0.0026 0.0199 0.0445 0.0131 -0.0605 0.0702 0.0058 0.0153
MP3=FULL         0.0000   0.0017         0.0029 0.0213            
MP4=FULL   0.0012     0.0037       0.0075     0.0030 0.0219   0.0133 0.0550      
B2PLYP=FULL -0.0001 0.0269 0.0002 0.0002 0.0307 0.0008 0.0150 0.0014 0.0019 0.0020 0.0008 0.0008 0.1332   0.0041 0.0148      
Quadratic configuration interaction QCISD(T)=FULL         0.0038             0.0030 0.0221   0.0133 0.0551      
Coupled Cluster CCSD=FULL         0.0000         0.0073 0.0028 0.0030 0.0215 0.0507 0.0135 0.0544 0.0813    
CCSD(T)=FULL         0.0038           0.0028 0.0030 0.0221 0.0513 0.0133 0.0551 0.0817 0.0064 0.0183
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-pCVDZ cc-pCVTZ

lihq1.gif