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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 LiCl- (lithium chloride anion)


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 -0.000302 -0.004779 -0.012205 -0.003088 -0.010839 -0.010839 -0.011478 -0.062193 -0.062193 -0.022953 -0.006511 -0.045809 -0.079338 -0.116770
MP3=FULL         -0.009920   -0.023296              
Coupled Cluster CCSD(T)=FULL                         -0.080789  
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