![]() |
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 | -412.6871318 |
correlated core | -412.7031595 |
difference | -0.0160276 |
Energy (hartrees) | |
---|---|
frozen core | -412.6882750 |
correlated core | -412.7036751 |
difference | -0.0154001 |