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 | -168.4236010 |
correlated core | -168.4270474 |
difference | -0.0034463 |
Energy (hartrees) | |
---|---|
frozen core | -168.4237533 |
correlated core | -168.4271604 |
difference | -0.0034071 |