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 | -169.4159010 |
correlated core | -169.4224473 |
difference | -0.0065463 |
Energy (hartrees) | |
---|---|
frozen core | -169.4208645 |
correlated core | -169.4274124 |
difference | -0.0065479 |