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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 ClO (Monochlorine monoxide)


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(T+d)Z cc-pCVDZ cc-pCVTZ aug-cc-pCVTZ
Moller Plesset perturbation MP2=FULL -0.006058 -0.012597 -0.012597 -0.013534 -0.067511 -0.067511 -0.027656 -0.007981 -0.045437 -0.092275 -0.009395 -0.048679 -0.116437 -0.251033 -0.390056 -0.390628
MP3=FULL   -0.011525   -0.019714                       -0.389954
MP4=FULL                               -0.392151
B2PLYP=FULL                               -0.110913
Coupled Cluster CCSD=FULL   -0.011387         -0.025266   -0.043272     -0.046518       -0.388588
CCSD(T)=FULL   -0.011646           -0.007141 -0.044147       -0.114324 -0.251834 -0.391064 -0.391587
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(T+d)Z cc-pCVDZ cc-pCVTZ aug-cc-pCVTZ