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 | -168.3365160 |
correlated core | -168.3879973 |
difference | -0.0514813 |
Energy (hartrees) | |
---|---|
frozen core | -168.3365472 |
correlated core | -168.3880158 |
difference | -0.0514685 |