III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -193.6822946 |
correlated core | -193.6991303 |
difference | -0.0168358 |
Energy (hartrees) | |
---|---|
frozen core | -193.6822936 |
correlated core | -193.6991303 |
difference | -0.0168368 |
Energy (hartrees) | |
---|---|
frozen core | -193.6822936 |
correlated core | -193.6991303 |
difference | -0.0168368 |
Energy (hartrees) | |
---|---|
frozen core | -193.6822946 |
correlated core | -193.6991303 |
difference | -0.0168358 |
Energy (hartrees) | |
---|---|
frozen core | -193.6822936 |
correlated core | -193.6991303 |
difference | -0.0168367 |
Energy (hartrees) | |
---|---|
frozen core | -193.6822936 |
correlated core | -193.6991303 |
difference | -0.0168367 |
Energy (hartrees) | |
---|---|
frozen core | -193.6830132 |
correlated core | -193.6998750 |
difference | -0.0168618 |