![]() |
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 | -398.8952452 |
correlated core | -398.9414662 |
difference | -0.0462210 |
Energy (hartrees) | |
---|---|
frozen core | -398.9017618 |
correlated core | -398.9452211 |
difference | -0.0434593 |