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 | -254.4576207 |
correlated core | -254.4700340 |
difference | -0.0124133 |
Energy (hartrees) | |
---|---|
frozen core | -254.4624487 |
correlated core | -254.4731801 |
difference | -0.0107315 |
Energy (hartrees) | |
---|---|
frozen core | -254.4594736 |
correlated core | -254.4725243 |
difference | -0.0130507 |