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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 SCl+ (sulfur monochloride cation)


Methods with standard basis sets
STO-3G 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 cc-pVQZ cc-pV(T+d)Z
Moller Plesset perturbation MP2=FULL -0.000637 -0.009364 -0.024712 -0.005629 -0.020431 -0.020431 -0.021737 -0.169373 -0.169373 -0.040322 -0.012348 -0.068408 -0.121752 -0.204745
MP3=FULL         -0.019009   -0.023355              
STO-3G 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 cc-pVQZ cc-pV(T+d)Z