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 |
Energy (hartrees) | |
---|---|
frozen core | -412.7206785 |
correlated core | -412.8477433 |
difference | -0.1270648 |
Energy (hartrees) | |
---|---|
frozen core | -412.7208251 |
correlated core | -412.8467209 |
difference | -0.1258958 |