![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
You are here: Calculated > Energy > Correlation > Full vs Frozen core energies |
6-31G* | 6-31+G** | aug-cc-pVTZ | ||
---|---|---|---|---|
Moller Plesset perturbation | MP2=FULL | -0.010727 | ||
MP3=FULL | -0.002477 | -0.058932 | ||
6-31G* | 6-31+G** | aug-cc-pVTZ |