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 | -166.8342587 |
correlated core | -166.8349577 |
difference | -0.0006990 |
Energy (hartrees) | |
---|---|
frozen core | -166.8452522 |
correlated core | -166.8459514 |
difference | -0.0006992 |
Energy (hartrees) | |
---|---|
frozen core | -166.8427599 |
correlated core | -166.8434596 |
difference | -0.0006997 |