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 | -15.4099898 |
correlated core | -15.4264169 |
difference | -0.0164271 |
Energy (hartrees) | |
---|---|
frozen core | -15.4037764 |
correlated core | -15.4203410 |
difference | -0.0165645 |