![]() |
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 | -579.0954792 |
correlated core | -579.1081598 |
difference | -0.0126806 |
Energy (hartrees) | |
---|---|
frozen core | -579.1321542 |
correlated core | -579.1445936 |
difference | -0.0124394 |
Energy (hartrees) | |
---|---|
frozen core | -579.1572540 |
correlated core | -579.1698589 |
difference | -0.0126049 |
Energy (hartrees) | |
---|---|
frozen core | -579.1420729 |
correlated core | -579.1546896 |
difference | -0.0126167 |