![]() |
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 | -579.1656517 |
correlated core | -579.2953580 |
difference | -0.1297062 |
Energy (hartrees) | |
---|---|
frozen core | -579.1993778 |
correlated core | -579.3219444 |
difference | -0.1225666 |
Energy (hartrees) | |
---|---|
frozen core | -579.2272333 |
correlated core | -579.3528089 |
difference | -0.1255756 |