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 |
3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | cc-pVDZ | cc-pVTZ | ||
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Moller Plesset perturbation | MP2=FULL | -0.009194 | -0.016788 | -0.018462 | -0.053807 | -0.055653 | -0.056766 | -0.441847 | -0.019454 | -0.106644 |
MP3=FULL | -0.050948 | -0.074534 | ||||||||
Coupled Cluster | CCSD(T)=FULL | -0.052946 | ||||||||
3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | cc-pVDZ | cc-pVTZ |