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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 GeCl (Germanium monochloride)


Methods with standard basis sets
6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) TZVP cc-pVDZ cc-pVTZ aug-cc-pVDZ
Moller Plesset perturbation MP2=FULL -0.015316 -0.039810 -0.039810 -0.041286 -0.442144 -0.442144 -0.112242 -0.166324 -0.014709   -0.017404
MP3=FULL   -0.038056   -0.060824              
Coupled Cluster CCSD(T)=FULL   -0.039786           -0.149132 -0.013710 -0.086564 -0.016325
6-31G 6-31G* 6-31G** 6-31+G** 6-311G* 6-311G** 6-31G(2df,p) TZVP cc-pVDZ cc-pVTZ aug-cc-pVDZ