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 | -0.001124 | -0.018522 | -0.041171 | -0.012175 | -0.043202 | -0.043366 | -0.045669 | -0.203948 | -0.204119 | -0.087687 | -0.025565 | -0.144689 |
MP3=FULL | -0.040071 | -0.058710 | |||||||||||
Coupled Cluster | CCSD(T)=FULL | -0.040575 | -0.022999 | -0.117371 | |||||||||
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 |