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 | -158.0401765 |
correlated core | -158.1192811 |
difference | -0.0791045 |
Energy (hartrees) | |
---|---|
frozen core | -158.0393502 |
correlated core | -158.1184741 |
difference | -0.0791239 |