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 | -596.8584693 |
correlated core | -596.8682162 |
difference | -0.0097469 |
Energy (hartrees) | |
---|---|
frozen core | -596.8897856 |
correlated core | -596.8995494 |
difference | -0.0097638 |