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 |
6-31G* | 6-31+G** | cc-pV(T+d)Z | ||
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Moller Plesset perturbation | MP2=FULL | -0.024432 | ||
MP3=FULL | -0.004674 | -0.009507 | ||
6-31G* | 6-31+G** | cc-pV(T+d)Z |