![]() |
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 | -581.0439983 |
correlated core | -581.1165767 |
difference | -0.0725784 |
Energy (hartrees) | |
---|---|
frozen core | -581.0455946 |
correlated core | -581.1182128 |
difference | -0.0726183 |
Energy (hartrees) | |
---|---|
frozen core | -581.0035187 |
correlated core | -581.0763620 |
difference | -0.0728433 |