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 | -412.7258341 |
correlated core | -412.8581720 |
difference | -0.1323379 |
Energy (hartrees) | |
---|---|
frozen core | -412.7260276 |
correlated core | -412.8581799 |
difference | -0.1321522 |