![]() |
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 | -169.6200785 |
correlated core | -169.6637749 |
difference | -0.0436964 |
Energy (hartrees) | |
---|---|
frozen core | -169.6289575 |
correlated core | -169.6726553 |
difference | -0.0436978 |
Energy (hartrees) | |
---|---|
frozen core | -169.6240681 |
correlated core | -169.6676334 |
difference | -0.0435652 |