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 | -685.9227262 |
correlated core | -685.9529945 |
difference | -0.0302683 |
Energy (hartrees) | |
---|---|
frozen core | -685.9227323 |
correlated core | -685.9530007 |
difference | -0.0302684 |