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 | -166.2827256 |
correlated core | -166.3223205 |
difference | -0.0395949 |
Energy (hartrees) | |
---|---|
frozen core | -166.2835028 |
correlated core | -166.3230173 |
difference | -0.0395146 |