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 | -191.2720780 |
correlated core | -191.2785263 |
difference | -0.0064483 |
Energy (hartrees) | |
---|---|
frozen core | -191.2720785 |
correlated core | -191.2785266 |
difference | -0.0064481 |