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 | -169.4657852 |
correlated core | -169.4732527 |
difference | -0.0074674 |
Energy (hartrees) | |
---|---|
frozen core | -169.4740561 |
correlated core | -169.4815507 |
difference | -0.0074947 |
Energy (hartrees) | |
---|---|
frozen core | -169.4686065 |
correlated core | -169.4760749 |
difference | -0.0074684 |