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 | -15.4187591 |
correlated core | -15.4417609 |
difference | -0.0230018 |
Energy (hartrees) | |
---|---|
frozen core | -15.4158300 |
correlated core | -15.4391250 |
difference | -0.0232950 |
Energy (hartrees) | |
---|---|
frozen core | -15.4229368 |
correlated core | -15.4464738 |
difference | -0.0235369 |