![]() |
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 | -151.4965967 |
correlated core | -151.5034145 |
difference | -0.0068178 |
Energy (hartrees) | |
---|---|
frozen core | -151.5043322 |
correlated core | -151.5109649 |
difference | -0.0066327 |