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Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) 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 | -0.000283 | -0.003576 | -0.010679 | -0.010508 | -0.028388 | -0.028388 | -0.028944 | -0.408164 | -0.408164 | -0.085783 | -0.008391 | -0.058468 |
| MP3=FULL | -0.026417 | -0.049042 | |||||||||||
| 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 |