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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 | ||
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| Moller Plesset perturbation | MP2=FULL | -0.000133 | -0.006741 | -0.020744 | -0.021128 | -0.054156 | -0.054156 | -0.055428 | -0.787419 | -0.787419 | -0.162279 | -0.015765 |
| MP3=FULL | -0.050749 | -0.076596 | ||||||||||
| 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 |