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 | -254.5791149 |
correlated core | -254.6183588 |
difference | -0.0392439 |
Energy (hartrees) | |
---|---|
frozen core | -254.5845345 |
correlated core | -254.6240788 |
difference | -0.0395443 |