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 | -721.4388834 |
correlated core | -721.4485259 |
difference | -0.0096425 |
Energy (hartrees) | |
---|---|
frozen core | -721.4420480 |
correlated core | -721.4516561 |
difference | -0.0096082 |