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 | -254.4885048 |
correlated core | -254.4939433 |
difference | -0.0054385 |
Energy (hartrees) | |
---|---|
frozen core | -254.4961805 |
correlated core | -254.5013954 |
difference | -0.0052149 |
Energy (hartrees) | |
---|---|
frozen core | -254.4907333 |
correlated core | -254.4960372 |
difference | -0.0053039 |