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 | -1592.2840629 |
correlated core | -1592.4773973 |
difference | -0.1933344 |
Energy (hartrees) | |
---|---|
frozen core | -1592.3239110 |
correlated core | -1592.5172866 |
difference | -0.1933757 |
Energy (hartrees) | |
---|---|
frozen core | -1592.3239110 |
correlated core | -1592.5172867 |
difference | -0.1933757 |