| |
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 | -627.6522518 |
| correlated core | -627.9120712 |
| difference | -0.2598193 |