![]() |
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 | -77.0647223 |
correlated core | -77.1079492 |
difference | -0.0432268 |
Energy (hartrees) | |
---|---|
frozen core | -77.0986689 |
correlated core | -77.1410730 |
difference | -0.0424041 |