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 | -0.001426 | -0.008310 | -0.015271 | -0.014770 | -0.041904 | -0.043242 | -0.044254 | -0.450401 | -0.451453 | -0.109737 | -0.016046 | -0.094419 |
MP3=FULL | -0.039874 | ||||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.040633 | -0.014986 | -0.087671 | |||||||||
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 |