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 | -580.2722896 |
correlated core | -580.2962963 |
difference | -0.0240066 |
Energy (hartrees) | |
---|---|
frozen core | -580.2736799 |
correlated core | -580.2977470 |
difference | -0.0240671 |
Energy (hartrees) | |
---|---|
frozen core | -580.2315163 |
correlated core | -580.2559170 |
difference | -0.0244007 |