![]() |
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 | -579.0628702 |
correlated core | -579.0788424 |
difference | -0.0159722 |
Energy (hartrees) | |
---|---|
frozen core | -579.0948422 |
correlated core | -579.1101331 |
difference | -0.0152909 |
Energy (hartrees) | |
---|---|
frozen core | -579.1227865 |
correlated core | -579.1382998 |
difference | -0.0155133 |
Energy (hartrees) | |
---|---|
frozen core | -579.1080314 |
correlated core | -579.1235646 |
difference | -0.0155332 |