![]() |
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 | -580.4135300 |
correlated core | -580.5124005 |
difference | -0.0988705 |
Energy (hartrees) | |
---|---|
frozen core | -580.4136911 |
correlated core | -580.5124006 |
difference | -0.0987095 |
Energy (hartrees) | |
---|---|
frozen core | -580.3747061 |
correlated core | -580.4728133 |
difference | -0.0981073 |