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 | -208.9764352 |
correlated core | -208.9811032 |
difference | -0.0046680 |
Energy (hartrees) | |
---|---|
frozen core | -208.9781829 |
correlated core | -208.9828566 |
difference | -0.0046737 |