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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 H+ (Hydrogen atom cation)

Energies in Hartree
Methods with standard basis sets
3-21G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** cc-pVDZ cc-pVTZ aug-cc-pVDZ aug-cc-pVTZ cc-pV(T+d)Z cc-pCVDZ cc-pCVTZ
Moller Plesset perturbation MP2=FULL 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000   0.000000 0.000000 0.000000
Coupled Cluster CCSD(T)=FULL   0.000000   0.000000     0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
3-21G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** cc-pVDZ cc-pVTZ aug-cc-pVDZ aug-cc-pVTZ cc-pV(T+d)Z cc-pCVDZ cc-pCVTZ