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 | -957.7546438 |
correlated core | -957.7775749 |
difference | -0.0229311 |
Energy (hartrees) | |
---|---|
frozen core | -957.7556705 |
correlated core | -957.7785289 |
difference | -0.0228584 |