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* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | ||
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Moller Plesset perturbation | MP2=FULL | -0.005258 | -0.012035 | -0.012070 | -0.028916 | -0.028916 | -0.030260 | -0.410676 | -0.410676 | -0.086839 | -0.010031 |
MP3=FULL | -0.027625 | -0.049212 | |||||||||
3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ |