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 | -376.7915976 |
correlated core | -376.8241216 |
difference | -0.0325240 |
Energy (hartrees) | |
---|---|
frozen core | -376.7898366 |
correlated core | -376.8223155 |
difference | -0.0324789 |