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 | -254.5863680 |
correlated core | -254.6634937 |
difference | -0.0771257 |
Energy (hartrees) | |
---|---|
frozen core | -254.5911543 |
correlated core | -254.6641935 |
difference | -0.0730392 |
Energy (hartrees) | |
---|---|
frozen core | -254.5875180 |
correlated core | -254.6633816 |
difference | -0.0758636 |