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You are here: Calculated > Energy > Correlation > Full vs Frozen core energies

Energy differences between frozen core and all electrons correlated.
MP2, MP3, MP4, B2PLYP, CCSD, and CCSD(T)

For C6H6 (Benzene)


Methods with standard basis sets
6-31G* 6-31+G** 6-311G* 6-311G** cc-pVTZ aug-cc-pVDZ aug-cc-pVTZ
Moller Plesset perturbation MP2=FULL -0.029454   -0.112149 -0.112985      
MP3=FULL -0.029114 -0.043296          
Coupled Cluster CCSD(T)=FULL -0.029180       -0.096517 -0.016005 -0.115561
6-31G* 6-31+G** 6-311G* 6-311G** cc-pVTZ aug-cc-pVDZ aug-cc-pVTZ