III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For S3 (Ketene)Energy (hartrees) | |
---|---|
frozen core | -56.7002940 |
correlated core | -56.7035842 |
difference | -0.0032903 |
Energy (hartrees) | |
---|---|
frozen core | -56.7002939 |
correlated core | -56.7035842 |
difference | -0.0032903 |
Energy (hartrees) | |
---|---|
frozen core | -56.7002940 |
correlated core | -56.7035842 |
difference | -0.0032903 |
Energy (hartrees) | |
---|---|
frozen core | -56.7002939 |
correlated core | -56.7035842 |
difference | -0.0032903 |