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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 ClF (Chlorine monofluoride)


Methods with standard basis sets
3-21G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ cc-pV(D+d)Z cc-pV(T+d)Z cc-pCVDZ cc-pCVTZ
Moller Plesset perturbation MP2=FULL -0.006209 -0.012342 -0.012342 -0.013384 -0.067864 -0.067864 -0.025357 -0.008053 -0.045982 -0.093734 -0.009449 -0.049066   -0.116852 -0.251738 -0.392525
MP3=FULL   -0.011318   -0.026269                        
Coupled Cluster CCSD=FULL   -0.011139         -0.022966   -0.043783     -0.046905        
CCSD(T)=FULL   -0.011378           -0.007197 -0.044621   -0.008568 -0.047762 -0.057274 -0.114715 -0.252334 -0.393437
3-21G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) cc-pVDZ cc-pVTZ cc-pVQZ aug-cc-pVDZ aug-cc-pVTZ cc-pV(D+d)Z cc-pV(T+d)Z cc-pCVDZ cc-pCVTZ