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 | -15.4188585 |
correlated core | -15.4427589 |
difference | -0.0239004 |
Energy (hartrees) | |
---|---|
frozen core | -15.4159259 |
correlated core | -15.4401961 |
difference | -0.0242702 |
Energy (hartrees) | |
---|---|
frozen core | -15.4230780 |
correlated core | -15.4474344 |
difference | -0.0243563 |