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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 NCl (nitrogen monochloride)


Methods with standard basis sets
3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) cc-pVDZ cc-pVTZ aug-cc-pVTZ cc-pV(D+d)Z cc-pV(T+d)Z cc-pCVDZ cc-pCVTZ
Moller Plesset perturbation MP2=FULL -0.005892 -0.013340 -0.003601 -0.012912 -0.012912 -0.013789 -0.067145 -0.067145 -0.027902 -0.007852 -0.044728 -0.047933 -0.059944 -0.115817 -0.250199  
MP3=FULL       -0.011876   -0.017470                    
Coupled Cluster CCSD(T)=FULL                         -0.057269 -0.113744 -0.251267 -0.388593
3-21G 3-21G* 6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) cc-pVDZ cc-pVTZ aug-cc-pVTZ cc-pV(D+d)Z cc-pV(T+d)Z cc-pCVDZ cc-pCVTZ