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 | -157.8956282 |
correlated core | -157.9144704 |
difference | -0.0188422 |
Energy (hartrees) | |
---|---|
frozen core | -157.8945270 |
correlated core | -157.9133678 |
difference | -0.0188407 |