Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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You are here: Calculated > Energy > Correlation > Full vs Frozen core energies |
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 | ||
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Moller Plesset perturbation | MP2=FULL | -0.001006 | -0.017159 | -0.024681 | -0.010925 | -0.032694 | -0.032693 | -0.035802 | -0.181446 | -0.181446 | -0.067825 | -0.021696 | -0.129211 |
MP3=FULL | -0.030649 | -0.076743 | |||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.030917 | -0.019761 | -0.101118 | |||||||||
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 |