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 | -75.9197334 |
correlated core | -75.9214170 |
difference | -0.0016836 |
Energy (hartrees) | |
---|---|
frozen core | -75.9197332 |
correlated core | -75.9214168 |
difference | -0.0016837 |