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 | -151.4882057 |
correlated core | -151.4978430 |
difference | -0.0096374 |
Energy (hartrees) | |
---|---|
frozen core | -151.4872271 |
correlated core | -151.4968646 |
difference | -0.0096375 |