![]() |
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 | -76.9028851 |
correlated core | -76.9119859 |
difference | -0.0091008 |
Energy (hartrees) | |
---|---|
frozen core | -76.9813973 |
correlated core | -76.9900809 |
difference | -0.0086836 |