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 | -323.6053288 |
correlated core | -323.6651611 |
difference | -0.0598324 |
Energy (hartrees) | |
---|---|
frozen core | -323.6087098 |
correlated core | -323.6674894 |
difference | -0.0587796 |