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 | -115.5236697 |
correlated core | -115.5579144 |
difference | -0.0342446 |
Energy (hartrees) | |
---|---|
frozen core | -115.5225134 |
correlated core | -115.5568265 |
difference | -0.0343131 |