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 | -953.3167689 |
correlated core | -953.3419852 |
difference | -0.0252163 |
Energy (hartrees) | |
---|---|
frozen core | -953.3176342 |
correlated core | -953.3428300 |
difference | -0.0251958 |