![]() |
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 | -579.1379682 |
correlated core | -579.2295641 |
difference | -0.0915959 |
Energy (hartrees) | |
---|---|
frozen core | -579.1673215 |
correlated core | -579.2570539 |
difference | -0.0897323 |
Energy (hartrees) | |
---|---|
frozen core | -579.1977038 |
correlated core | -579.2873753 |
difference | -0.0896716 |
Energy (hartrees) | |
---|---|
frozen core | -579.1821419 |
correlated core | -579.2722159 |
difference | -0.0900740 |