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 | -581.0479912 |
correlated core | -581.0524071 |
difference | -0.0044159 |
Energy (hartrees) | |
---|---|
frozen core | -581.0489796 |
correlated core | -581.0533690 |
difference | -0.0043895 |
Energy (hartrees) | |
---|---|
frozen core | -581.0133014 |
correlated core | -581.0175798 |
difference | -0.0042784 |