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 | -208.8170407 |
correlated core | -208.8766123 |
difference | -0.0595716 |
Energy (hartrees) | |
---|---|
frozen core | -208.8190606 |
correlated core | -208.8786754 |
difference | -0.0596147 |