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 | -191.7644865 |
correlated core | -191.7856799 |
difference | -0.0211933 |
Energy (hartrees) | |
---|---|
frozen core | -191.7620666 |
correlated core | -191.7832600 |
difference | -0.0211934 |