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 | -417.8395089 |
correlated core | -417.9591379 |
difference | -0.1196290 |
Energy (hartrees) | |
---|---|
frozen core | -417.8394429 |
correlated core | -417.9591128 |
difference | -0.1196699 |