![]() |
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 | -1066.2549014 |
correlated core | -1066.2838776 |
difference | -0.0289762 |
Energy (hartrees) | |
---|---|
frozen core | -1066.2550532 |
correlated core | -1066.2840386 |
difference | -0.0289854 |