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 | -38.6535409 |
correlated core | -38.6573595 |
difference | -0.0038186 |
Energy (hartrees) | |
---|---|
frozen core | -38.6482788 |
correlated core | -38.6521407 |
difference | -0.0038618 |