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 | -254.4472990 |
correlated core | -254.4577509 |
difference | -0.0104520 |
Energy (hartrees) | |
---|---|
frozen core | -254.4543459 |
correlated core | -254.4642122 |
difference | -0.0098662 |
Energy (hartrees) | |
---|---|
frozen core | -254.4463678 |
correlated core | -254.4565024 |
difference | -0.0101346 |