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 | -153.9812445 |
correlated core | -154.0322107 |
difference | -0.0509662 |
Energy (hartrees) | |
---|---|
frozen core | -153.9817681 |
correlated core | -154.0327607 |
difference | -0.0509927 |