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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* | aug-cc-pVTZ | ||
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Moller Plesset perturbation | MP2=FULL | -0.040616 | |
MP3=FULL | -0.010339 | ||
6-31G* | aug-cc-pVTZ |