![]() |
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 | -216.9953314 |
correlated core | -217.0167418 |
difference | -0.0214104 |
Energy (hartrees) | |
---|---|
frozen core | -216.9943165 |
correlated core | -217.0157140 |
difference | -0.0213975 |