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 | -323.8290760 |
correlated core | -323.8368931 |
difference | -0.0078171 |
Energy (hartrees) | |
---|---|
frozen core | -323.8238716 |
correlated core | -323.8315824 |
difference | -0.0077108 |