![]() |
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 | -579.1403162 |
correlated core | -579.2362790 |
difference | -0.0959629 |
Energy (hartrees) | |
---|---|
frozen core | -579.1696589 |
correlated core | -579.2631709 |
difference | -0.0935120 |
Energy (hartrees) | |
---|---|
frozen core | -579.2002933 |
correlated core | -579.2940888 |
difference | -0.0937955 |
Energy (hartrees) | |
---|---|
frozen core | -579.1845716 |
correlated core | -579.2786235 |
difference | -0.0940519 |